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11th November 2015 @ 12:05

Planning for the next round of synthesis is taking place over on GHI358.

This post only contains the strings for all the molecules mentioned there.


Nemesis OC(C1=CC=CC=C1)COC2=CN=CC3=NN=C(C4CNCCC4)N32 InChI=1S/C18H21N5O2/c24-15(13-5-2-1-3-6-13)12-25-17-11-20-10-16-21-22-18(23(16)17)14-7-4-8-19-9-14/h1-3,5-6,10-11,14-15,19,24H,4,7-9,12H2 SNDLBGDEOQPBOQ-UHFFFAOYSA-N

CRO OC(C1=CC=CC=C1)COC2=CN=CC3=NN=C(C4COC4)N32 InChI=1S/C16H16N4O3/c21-13(11-4-2-1-3-5-11)10-23-15-7-17-6-14-18-19-16(20(14)15)12-8-22-9-12/h1-7,12-13,21H,8-10H2 ZLHKTQHFEDMDIZ-UHFFFAOYSA-N

NW Aliphatic FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C)(C)OC)N32 InChI=1S/C17H18F2N4O3/c1-17(2,24-3)10-25-14-9-20-8-13-21-22-15(23(13)14)11-4-6-12(7-5-11)26-16(18)19/h4-9,16H,10H2,1-3H3 QPGDQEMNKJULOO-UHFFFAOYSA-N

Sydney Grammar Pyridine OC(C1=CC=CC=C1)COC2=CN=CC3=NN=C(C4=CN=CC=C4)N32 InChI=1S/C18H15N5O2/c24-15(13-5-2-1-3-6-13)12-25-17-11-20-10-16-21-22-18(23(16)17)14-7-4-8-19-9-14/h1-11,15,24H,12H2 GXHFRJHPAQDHIG-UHFFFAOYSA-N

Dimethyl Amine FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC=CC=C4)N(C)C)N32 InChI=1S/C22H21F2N5O2/c1-28(2)18(15-6-4-3-5-7-15)14-30-20-13-25-12-19-26-27-21(29(19)20)16-8-10-17(11-9-16)31-22(23)24/h3-13,18,22H,14H2,1-2H3 WSXRPWJACRAQOI-UHFFFAOYSA-N

Homologous Alcohol FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC=CC=C4)CO)N32 InChI=1S/C21H18F2N4O3/c22-21(23)30-17-8-6-15(7-9-17)20-26-25-18-10-24-11-19(27(18)20)29-13-16(12-28)14-4-2-1-3-5-14/h1-11,16,21,28H,12-13H2 MGANJQKOPZQELF-UHFFFAOYSA-N

Homologous Amine FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC=CC=C4)CN)N32 InChI=1S/C21H19F2N5O2/c22-21(23)30-17-8-6-15(7-9-17)20-27-26-18-11-25-12-19(28(18)20)29-13-16(10-24)14-4-2-1-3-5-14/h1-9,11-12,16,21H,10,13,24H2 ZAYFESUSYJEUPU-UHFFFAOYSA-N

Shackleford FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(C)C(C4=CC=CC=C4)O)N32 InChI=1S/C21H18F2N4O3/c1-13(19(28)14-5-3-2-4-6-14)29-18-12-24-11-17-25-26-20(27(17)18)15-7-9-16(10-8-15)30-21(22)23/h2-13,19,21,28H,1H3 XGFALCXCRQYLSD-UHFFFAOYSA-N

Swain FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(C)C4=CC=C(Cl)C(Cl)=C4)N32 InChI=1S/C20H14Cl2F2N4O2/c1-11(13-4-7-15(21)16(22)8-13)29-18-10-25-9-17-26-27-19(28(17)18)12-2-5-14(6-3-12)30-20(23)24/h2-11,20H,1H3 ILDZQTSEZGQWFR-UHFFFAOYSA-N

Reversed Amide FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(NC(C4=CC=NC(C(F)(F)F)=C4)=O)N32 InChI=1S/C19H11F5N6O2/c20-18(21)32-12-3-1-10(2-4-12)16-29-28-15-9-25-8-14(30(15)16)27-17(31)11-5-6-26-13(7-11)19(22,23)24/h1-9,18H,(H,27,31) NMZQYYGTOGZVCK-UHFFFAOYSA-N

MMV669848 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CN4CC(C=CC=C5)=C5C4)N32 InChI=1S/C21H17F2N5O/c22-21(23)29-18-7-5-14(6-8-18)20-26-25-19-10-24-9-17(28(19)20)13-27-11-15-3-1-2-4-16(15)12-27/h1-10,21H,11-13H2

MMV668957 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4CCC(C5=CC=CC=C5)C4)N32 InChI=1S/C22H19F2N5O/c23-22(24)30-18-8-6-16(7-9-18)21-27-26-19-12-25-13-20(29(19)21)28-11-10-17(14-28)15-4-2-1-3-5-15/h1-9,12-13,17,22H,10-11,14H2

MMV669304 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CCCC4=CC=CC=C4)N32 InChI=1S/C21H18F2N4O/c22-21(23)28-18-11-9-16(10-12-18)20-26-25-19-14-24-13-17(27(19)20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,21H,4,7-8H2

MMV671652 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N[C@H](C4=CC=C(F)C(F)=C4)CO)N32 InChI=1S/C20H15F4N5O2/c21-14-6-3-12(7-15(14)22)16(10-30)26-17-8-25-9-18-27-28-19(29(17)18)11-1-4-13(5-2-11)31-20(23)24/h1-9,16,20,26,30H,10H2/t16-/m0/s1

MMV669008 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4CC(OC5=CC(F)=C(F)C=C5)C4)N32 InChI=1S/C21H15F4N5O2/c22-16-6-5-14(7-17(16)23)31-15-10-29(11-15)19-9-26-8-18-27-28-20(30(18)19)12-1-3-13(4-2-12)32-21(24)25/h1-9,15,21H,10-11H2

MMV669353 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4CC(C5=CC=CC=C5)C4)N32 InChI=1S/C21H17F2N5O/c22-21(23)29-17-8-6-15(7-9-17)20-26-25-18-10-24-11-19(28(18)20)27-12-16(13-27)14-4-2-1-3-5-14/h1-11,16,21H,12-13H2

MMV671653 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4N=CC(C5=CC(F)=C(F)C=C5)=C4)N32 InChI=1S/C21H12F4N6O/c22-16-6-3-13(7-17(16)23)14-8-27-30(11-14)19-10-26-9-18-28-29-20(31(18)19)12-1-4-15(5-2-12)32-21(24)25/h1-11,21H

MMV671678 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4C=CN=C4CC5=CC(F)=C(F)C=C5)N32 InChI=1S/C22H14F4N6O/c23-16-6-1-13(9-17(16)24)10-18-28-7-8-31(18)20-12-27-11-19-29-30-21(32(19)20)14-2-4-15(5-3-14)33-22(25)26/h1-9,11-12,22H,10H2

MMV669360 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(COCC4=CC=C(F)C(F)=C4)N32 InChI=1S/C20H14F4N4O2/c21-16-6-1-12(7-17(16)22)10-29-11-14-8-25-9-18-26-27-19(28(14)18)13-2-4-15(5-3-13)30-20(23)24/h1-9,20H,10-11H2

MMV670243 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CCCC4=CC(F)=C(F)C=C4)N32 InChI=1S/C21H16F4N4O/c22-17-9-4-13(10-18(17)23)2-1-3-15-11-26-12-19-27-28-20(29(15)19)14-5-7-16(8-6-14)30-21(24)25/h4-12,21H,1-3H2

The Crazy Hemiacetal FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(O)C(O)C4=CC=CC=C4)N32 InChI=1S/C20H16F2N4O4/c21-20(22)29-14-8-6-13(7-9-14)18-25-24-15-10-23-11-16(26(15)18)30-19(28)17(27)12-4-2-1-3-5-12/h1-11,17,19-20,27-28H LBNIPJYOUJPJNQ-UHFFFAOYSA-N

The Ketone FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(CC4=CC=NC(C(F)(F)F)=C4)=O)N32 InChI=1S/C20H12F5N5O2/c21-19(22)32-13-3-1-12(2-4-13)18-29-28-17-10-26-9-14(30(17)18)15(31)7-11-5-6-27-16(8-11)20(23,24)25/h1-6,8-10,19H,7H2 NRTCUOWGNGMJIN-UHFFFAOYSA-N

The Sulfoxide FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C([S+]([O-])CC4=CC=NC(C(F)(F)F)=C4)N32 InChI=1S/C19H12F5N5O2S/c20-18(21)31-13-3-1-12(2-4-13)17-28-27-15-8-25-9-16(29(15)17)32(30)10-11-5-6-26-14(7-11)19(22,23)24/h1-9,18H,10H2 JITAVHCKEWUUSI-UHFFFAOYSA-N

The Sulfone FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(S(CC4=CC=NC(C(F)(F)F)=C4)(=O)=O)N32 InChI=1S/C19H12F5N5O3S/c20-18(21)32-13-3-1-12(2-4-13)17-28-27-15-8-25-9-16(29(15)17)33(30,31)10-11-5-6-26-14(7-11)19(22,23)24/h1-9,18H,10H2 DHPQHOFGWSYVQF-UHFFFAOYSA-N

The Urea FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N([H])C(N([H])C4=CC(C(F)(F)F)=NC=C4)=O)N32 InChI=1S/C19H12F5N7O2/c20-17(21)33-12-3-1-10(2-4-12)16-30-29-15-9-25-8-14(31(15)16)28-18(32)27-11-5-6-26-13(7-11)19(22,23)24/h1-9,17H,(H2,26,27,28,32) MXAOEFDAAVOYKX-UHFFFAOYSA-N

The Triazole FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C4=CN(C5=CC(C(F)(F)F)=NC=C5)[N][N]4)N32 InChI=1S/C20H11F5N8O/c21-19(22)34-13-3-1-11(2-4-13)18-30-29-17-9-26-8-15(33(17)18)14-10-32(31-28-14)12-5-6-27-16(7-12)20(23,24)25/h1-10,19H XXNFDIRYVMBYOF-UHFFFAOYSA-N

The Burns FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(C(F)(F)F)N([H])C4=CC=NC(C(F)(F)F)=C4)N32 InChI=1S/C20H12F8N6O/c21-18(22)35-12-3-1-10(2-4-12)17-33-32-15-9-29-8-13(34(15)17)16(20(26,27)28)31-11-5-6-30-14(7-11)19(23,24)25/h1-9,16,18H,(H,30,31) ORWCWEGIHLHCSF-UHFFFAOYSA-N

The Tianyi OC(C1=CC=CC=C1)COC2=CN=CC3=NC(C)=C(C4=CC=C(OC(F)F)C=C4)N32 InChI=1S/C22H19F2N3O3/c1-14-21(16-7-9-17(10-8-16)30-22(23)24)27-19(26-14)11-25-12-20(27)29-13-18(28)15-5-3-2-4-6-15/h2-12,18,22,28H,13H2,1H3 VGNPLLBRBOUQAA-UHFFFAOYSA-N

Chase Hop1 FC(C=C1)=C(F)C=C1CCOC2=CN=CC(N3N=NN=C3C4=CC=C(Cl)C=C4)=N2 InChI=1S/C19H13ClF2N6O/c20-14-4-2-13(3-5-14)19-25-26-27-28(19)17-10-23-11-18(24-17)29-8-7-12-1-6-15(21)16(22)9-12/h1-6,9-11H,7-8H2 HHZUPBCYYAXEQO-UHFFFAOYSA-N

Chase Hop2 FC(C=C1)=C(F)C=C1CCOC2=NC=NC(NC3=NN=C(C4=CC=C(Cl)C=C4)S3)=N2 InChI=1S/C19H13ClF2N6OS/c20-13-4-2-12(3-5-13)16-27-28-19(30-16)26-17-23-10-24-18(25-17)29-8-7-11-1-6-14(21)15(22)9-11/h1-6,9-10H,7-8H2,(H,23,24,25,26,28) BDGBDNWYLOQTMB-UHFFFAOYSA-N

MMV639565 OSM-S-272 FC1=C(F)C=CC(CCOC2=CN=CC3=NN=C(C4=CC=C(Cl)C=C4)N32)=C1 InChI=1S/C19H13ClF2N4O/c20-14-4-2-13(3-5-14)19-25-24-17-10-23-11-18(26(17)19)27-8-7-12-1-6-15(21)16(22)9-12/h1-6,9-11H,7-8H2 PMHUSEXABGDNGS-UHFFFAOYSA-N

MMV669846 OSM-S-273 FC1=C(F)C=CC(CCOC2=CN=CC3=NC=C(C4=CC=C(Cl)C=C4)N32)=C1 InChI=1S/C20H14ClF2N3O/c21-15-4-2-14(3-5-15)18-10-25-19-11-24-12-20(26(18)19)27-8-7-13-1-6-16(22)17(23)9-13/h1-6,9-12H,7-8H2 MQHQNFQVEXYAMO-UHFFFAOYSA-N

MMV670250 OSM-S-274 FC1=C(F)C=CC(CCOC2=CN=CC3=CN=C(C4=CC=C(Cl)C=C4)N32)=C1 InChI=1S/C20H14ClF2N3O/c21-15-4-2-14(3-5-15)20-25-11-16-10-24-12-19(26(16)20)27-8-7-13-1-6-17(22)18(23)9-13/h1-6,9-12H,7-8H2 JHORUMGXLQTHAD-UHFFFAOYSA-N

 

This post authored by Mat Todd.