 | | 6J1 | | Name: | 2,6-Dinitro-p-cresol | | Formula: | C7 H6 N2 O5 | | SMILES: | Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O | | InChi: | InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3 | | Definition date: | 2016-05-25 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 4-methyl-2,6-dinitro-phenol |
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 | | 6J3 | | Name: | 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid | | Formula: | C13 H11 Cl N2 O2 | | SMILES: | Cc1c(Cl)cccc1Nc2ncccc2C(O)=O | | InChi: | InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18) | | Definition date: | 2016-05-25 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylic acid |
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 | | BBW | | Name: | 7-methylquinazolin-4-amine | | Formula: | C9 H9 N3 | | SMILES: | Cc1ccc2c(N)ncnc2c1 | | InChi: | InChI=1S/C9H9N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12) | | Definition date: | 2015-09-23 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 7-methylquinazolin-4-amine |
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 | | 6R8 | | Name: | (6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid | | Formula: | C7 H8 N2 O5 | | SMILES: | N[C]1(O)CC=C(C=C1C(O)=O)[N+]([O-])=O | | InChi: | InChI=1S/C7H8N2O5/c8-7(12)2-1-4(9(13)14)3-5(7)6(10)11/h1,3,12H,2,8H2,(H,10,11)/t7-/m1/s1 | | Definition date: | 2016-05-31 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | (6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid |
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 | | 6VQ | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate | | Formula: | C22 H34 N10 O19 P4 S2 | | SMILES: | C[n+]1cn([CH]2O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(=O)O[P](S)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4c[n+](C)c5C(=O)N=C(N)Nc45)[CH](O)[CH]2O)c6NC(=NC(=O)c16)N | | InChi: | InChI=1S/C22H32N10O19P4S2/c1-29-5-31(15-9(29)17(37)27-21(23)25-15)19-13(35)11(33)7(47-19)3-45-54(43,56)50-52(39,40)49-53(41,42)51-55(44,57)46-4-8-12(34)14(36)20(48-8)32-6-30(2)10-16(32)26-22(24)28-18(10)38/h5-8,11-14,19-20,33-36H,3-4H2,1-2H3,(H8-2,23,24,25,26,27,28,37,38,39,40,41,42,43,44,56,57)/p+2/t7-,8-,11-,12-,13-,14-,19-,20-,54-,55-/m1/s1 | | Definition date: | 2016-07-06 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate |
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 | | 5SY | | Name: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate | | Formula: | C19 H22 O9 | | SMILES: | CO[CH]1O[CH](CO)[CH](O)[CH](OCC2=Cc3ccccc3OC2=O)[CH]1OC(C)=O | | InChi: | InChI=1S/C19H22O9/c1-10(21)26-17-16(15(22)14(8-20)28-19(17)24-2)25-9-12-7-11-5-3-4-6-13(11)27-18(12)23/h3-7,14-17,19-20,22H,8-9H2,1-2H3/t14-,15+,16+,17-,19+/m1/s1 | | Definition date: | 2015-11-25 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate |
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 | | 4QG | | Name: | 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide | | Formula: | C16 H11 Cl N2 O2 | | SMILES: | c2(cnc(c1ccc(cc1)C(N)=O)o2)c3ccc(cc3)Cl | | InChi: | InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20) | | Definition date: | 2015-05-08 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide |
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 | | 5H6 | | Name: | 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid | | Formula: | C8 H4 Cl N O3 S | | SMILES: | c2c(c1cc(C(O)=O)no1)sc(c2)Cl | | InChi: | InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12) | | Definition date: | 2015-09-24 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid |
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 | | 5HB | | Name: | N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide | | Formula: | C24 H28 N2 O2 S | | SMILES: | C4N(Cc1ccccc1)CC(CN(C)S(=O)(=O)c3ccc2c(cccc2)c3)CC4 | | InChi: | InChI=1S/C24H28N2O2S/c1-25(29(27,28)24-14-13-22-11-5-6-12-23(22)16-24)17-21-10-7-15-26(19-21)18-20-8-3-2-4-9-20/h2-6,8-9,11-14,16,21H,7,10,15,17-19H2,1H3/t21-/m0/s1 | | Definition date: | 2015-09-25 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide |
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 | | 5J8 | | Name: | [[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C21 H32 N7 O17 P3 | | SMILES: | NC(=O)C1=CN(CCC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H32N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h4,7-8,10-11,13-16,20-21,29-31H,1-3,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Definition date: | 2015-09-30 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | [[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | 5JB | | Name: | (25S)-3-oxocholest-4-en-26-oyl-CoA | | Formula: | C48 H76 N7 O18 P3 S | | SMILES: | C[CH](CCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH]4CC[CH]5[CH]6CCC7=CC(=O)CC[C]7(C)[CH]6CC[C]45C | | InChi: | InChI=1S/C48H76N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1 | | Definition date: | 2015-09-21 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanethioate |
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 | | 5JD | | Name: | 3,4-dichlorophenol | | Formula: | C6 H4 Cl2 O | | SMILES: | c1c(Cl)c(Cl)ccc1O | | InChi: | InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H | | Definition date: | 2015-09-30 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 3,4-dichlorophenol |
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 | | 5JF | | Name: | 2,3-dichlorophenol | | Formula: | C6 H4 Cl2 O | | SMILES: | Clc1c(Cl)cccc1O | | InChi: | InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H | | Definition date: | 2015-09-30 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | 2,3-dichlorophenol |
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 | | 5P7 | | Name: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol | | Formula: | C14 H17 N3 O3 | | SMILES: | OC[CH]1C[CH](Nc2ncnc3ccccc23)[CH](O)[CH]1O | | InChi: | InChI=1S/C14H17N3O3/c18-6-8-5-11(13(20)12(8)19)17-14-9-3-1-2-4-10(9)15-7-16-14/h1-4,7-8,11-13,18-20H,5-6H2,(H,15,16,17)/t8-,11-,12-,13+/m1/s1 | | Definition date: | 2015-09-22 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol |
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 | | 5QU | | Name: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine | | Formula: | C19 H19 F2 N5 O S | | SMILES: | Cc1onc(C)c1[CH]2C[CH](N[CH](N)S2)c3cc(c(F)cc3F)c4cncnc4 | | InChi: | InChI=1S/C19H19F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17,19,25H,5,22H2,1-2H3/t16-,17-,19+/m0/s1 | | Definition date: | 2015-11-11 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine |
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 | | 8PF | | Name: | pentadecafluorooctanoic acid | | Formula: | C8 H F15 O2 | | SMILES: | C(F)(C(F)(C(C(F)(F)F)(F)F)F)(C(F)(C(F)(F)C(F)(F)C(O)=O)F)F | | InChi: | InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25) | | Definition date: | 2016-04-22 | | Last modified: | 2016-09-30 | | Release date: | 2016-10-05 | | Identifier: | pentadecafluorooctanoic acid |
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 | | IPV | | Name: | [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol | | Formula: | C24 H29 N5 O4 S | | SMILES: | CN(c1ccnc(Nc2cc(cc(c2)[S](C)(=O)=O)N3CCOCC3)n1)c4cc(CO)ccc4C | | InChi: | InChI=1S/C24H29N5O4S/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(29-8-10-33-11-9-29)15-21(14-19)34(3,31)32/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27) | | Definition date: | 2016-06-08 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol |
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 | | IPW | | Name: | (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone | | Formula: | C22 H20 Cl N5 O | | SMILES: | Clc1ccc(cc1)C(=O)c2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5 | | InChi: | InChI=1S/C22H20ClN5O/c23-17-3-1-14(2-4-17)21(29)20-12-26-22-19(20)9-15(10-25-22)16-11-27-28(13-16)18-5-7-24-8-6-18/h1-4,9-13,18,24H,5-8H2,(H,25,26) | | Definition date: | 2016-06-08 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone |
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 | | TDN | | Name: | 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | | Formula: | C15 H24 N4 O8 P2 S | | SMILES: | CCC(O)=C1SC(=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O | | InChi: | InChI=1S/C15H24N4O8P2S/c1-4-12(20)15-19(8-11-7-17-10(3)18-14(11)16)9(2)13(30-15)5-6-26-29(24,25)27-28(21,22)23/h7,20H,4-6,8H2,1-3H3,(H,24,25)(H2,16,17,18)(H2,21,22,23)/b15-12+ | | Definition date: | 2016-04-07 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 2-[(2~{E})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
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 | | KZH | | Name: | (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid) | | Formula: | C18 H28 O3 | | SMILES: | CCC=CCC(=O)C=CC=CCCCCCCCC(O)=O | | InChi: | InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7?,11-3?,15-12+ | | Definition date: | 2015-06-01 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 13-oxidanylideneoctadeca-9,11,15-trienoic acid |
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 | | 70A | | Name: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | | Formula: | C34 H35 N9 O3 | | SMILES: | C2(C(c5ccc(C(C)COC(Nc1ccc(c(c1)CN2C)C4(c3nnnn3)CC4)=O)c(c5)C)Nc6cc7c(cc6)c(ncc7)N)=O | | InChi: | InChI=1S/C34H35N9O3/c1-19-14-22-4-7-26(19)20(2)18-46-33(45)38-25-6-9-28(34(11-12-34)32-39-41-42-40-32)23(16-25)17-43(3)31(44)29(22)37-24-5-8-27-21(15-24)10-13-36-30(27)35/h4-10,13-16,20,29,37H,11-12,17-18H2,1-3H3,(H2,35,36)(H,38,45)(H,39,40,41,42)/t20-,29+/m0/s1 | | Definition date: | 2016-08-03 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione |
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 | | 70C | | Name: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid | | Formula: | C37 H40 F N5 O5 | | SMILES: | C4(N(C)Cc1cc(ccc1C2(C(=O)O)CCCCC2)NC(OCC(C)c3ccc(cc3C)C4Nc5cc6c(cc5)c(ncc6F)N)=O)=O | | InChi: | InChI=1S/C37H40FN5O5/c1-21-15-23-7-10-27(21)22(2)20-48-36(47)42-25-9-12-30(37(35(45)46)13-5-4-6-14-37)24(16-25)19-43(3)34(44)32(23)41-26-8-11-28-29(17-26)31(38)18-40-33(28)39/h7-12,15-18,22,32,41H,4-6,13-14,19-20H2,1-3H3,(H2,39,40)(H,42,47)(H,45,46)/t22-,32+/m0/s1 | | Definition date: | 2016-08-03 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid |
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 | | 70D | | Name: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid | | Formula: | C35 H36 F N5 O5 | | SMILES: | C2(C(c4ccc(C(C)COC(Nc1ccc(c(c1)CN2C)C3(CCC3)C(O)=O)=O)c(c4)C)Nc5cc6c(cc5)c(ncc6F)N)=O | | InChi: | InChI=1S/C35H36FN5O5/c1-19-13-21-5-8-25(19)20(2)18-46-34(45)40-23-7-10-28(35(33(43)44)11-4-12-35)22(14-23)17-41(3)32(42)30(21)39-24-6-9-26-27(15-24)29(36)16-38-31(26)37/h5-10,13-16,20,30,39H,4,11-12,17-18H2,1-3H3,(H2,37,38)(H,40,45)(H,43,44)/t20-,30+/m0/s1 | | Definition date: | 2016-08-03 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid |
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 | | 72N | | Name: | 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole | | Formula: | C12 H13 N3 | | SMILES: | Cc1nnc(C2CC2)n1c3ccccc3 | | InChi: | InChI=1S/C12H13N3/c1-9-13-14-12(10-7-8-10)15(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3 | | Definition date: | 2016-08-17 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole |
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 | | 73X | | Name: | 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine | | Formula: | C14 H16 Cl2 N6 | | SMILES: | c1(ncc(c(n1)N)N3CCN(c2cc(c(Cl)cc2)Cl)CC3)N | | InChi: | InChI=1S/C14H16Cl2N6/c15-10-2-1-9(7-11(10)16)21-3-5-22(6-4-21)12-8-19-14(18)20-13(12)17/h1-2,7-8H,3-6H2,(H4,17,18,19,20) | | Definition date: | 2016-08-19 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine |
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