 | | UMK | | Name: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL | | Formula: | C11 H14 Br N O | | SMILES: | Brc1ccc(cc1)C2(O)CCNCC2 | | InChi: | InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 | | Definition date: | 2014-07-02 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 4-(4-bromophenyl)piperidin-4-ol |
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 | | VJP | | Name: | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one | | Formula: | C11 H14 N2 O3 S | | SMILES: | O=C2N(S(=O)(=O)c1ccc(N)cc1)CCCC2 | | InChi: | InChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2 | | Definition date: | 2014-07-02 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one |
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 | | L71 | | Name: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione | | Formula: | C13 H16 N2 O2 | | SMILES: | O=C2N(C(=O)CC2c1cccc(c1)CN)CC | | InChi: | InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1 | | Definition date: | 2014-07-02 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione |
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 | | L7S | | Name: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide | | Formula: | C13 H14 N2 O3 | | SMILES: | O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC | | InChi: | InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1 | | Definition date: | 2014-07-02 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide |
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 | | 1TR | | Name: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine | | Formula: | C20 H19 F N6 | | SMILES: | Fc4ccc(c1nc3cc(ccn3c1c2nc(ncc2)N)CN(C)C)cc4 | | InChi: | InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24) | | Definition date: | 2014-02-14 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 4-{7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine |
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 | | 3WP | | Name: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine | | Formula: | C11 H12 F2 N2 S | | SMILES: | Fc1ccc(c(F)c1)C2(N=C(SCC2)N)C | | InChi: | InChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1 | | Definition date: | 2014-11-28 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
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 | | 40W | | Name: | 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide | | Formula: | C18 H20 N2 O2 | | SMILES: | O=C(N)c1ccc(cc1)n3c2c(C(=O)CC(C2)(C)C)c(c3)C | | InChi: | InChI=1S/C18H20N2O2/c1-11-10-20(13-6-4-12(5-7-13)17(19)22)14-8-18(2,3)9-15(21)16(11)14/h4-7,10H,8-9H2,1-3H3,(H2,19,22) | | Definition date: | 2015-01-08 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide |
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 | | 40X | | Name: | (6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide | | Formula: | C23 H27 Cl N2 O3 | | SMILES: | O=C(N)c3cc4OC(Cc1n(c2c(c1C)C(=O)CC(C2)(C)C)c4cc3Cl)CCC | | InChi: | InChI=1S/C23H27ClN2O3/c1-5-6-13-7-16-12(2)21-18(10-23(3,4)11-19(21)27)26(16)17-9-15(24)14(22(25)28)8-20(17)29-13/h8-9,13H,5-7,10-11H2,1-4H3,(H2,25,28)/t13-/m0/s1 | | Definition date: | 2015-01-08 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide |
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 | | 40Y | | Name: | 8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide | | Formula: | C20 H22 N2 O3 | | SMILES: | O=C(N)c3cc4OCCc1n(c2c(c1C)C(=O)CC(C2)(C)C)c4cc3 | | InChi: | InChI=1S/C20H22N2O3/c1-11-13-6-7-25-17-8-12(19(21)24)4-5-14(17)22(13)15-9-20(2,3)10-16(23)18(11)15/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,24) | | Definition date: | 2015-01-08 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide |
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 | | 40Z | | Name: | 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide | | Formula: | C25 H26 Cl N3 O3 | | SMILES: | O=C(N)c2cc3N(CCc4c(c1C(=O)CC(C)(C)Cc1n4c3cc2Cl)C)Cc5occc5 | | InChi: | InChI=1S/C25H26ClN3O3/c1-14-18-6-7-28(13-15-5-4-8-32-15)19-9-16(24(27)31)17(26)10-20(19)29(18)21-11-25(2,3)12-22(30)23(14)21/h4-5,8-10H,6-7,11-13H2,1-3H3,(H2,27,31) | | Definition date: | 2015-01-08 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide |
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 | | 45E | | Name: | 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone | | Formula: | C22 H26 N2 O5 | | SMILES: | O=C(N2CCN(C(=O)c1cccc(OC)c1OC)CC2)COc3cc(ccc3)C | | InChi: | InChI=1S/C22H26N2O5/c1-16-6-4-7-17(14-16)29-15-20(25)23-10-12-24(13-11-23)22(26)18-8-5-9-19(27-2)21(18)28-3/h4-9,14H,10-13,15H2,1-3H3 | | Definition date: | 2014-12-03 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone |
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 | | 11V | | Name: | 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C25 H27 Cl N6 O S | | SMILES: | ClC(c1ccccc1)Cn4ncc3c(nc(SCCN2CCOCC2)nc34)Nc5ccccc5 | | InChi: | InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)/t22-/m0/s1 | | Definition date: | 2012-10-01 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | 9W7 | | Name: | 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol | | Formula: | C14 H11 Cl F N O4 | | SMILES: | Clc2cc(ccc2Oc1cc(F)c(cc1O)CC)[N+]([O-])=O | | InChi: | InChI=1S/C14H11ClFNO4/c1-2-8-5-12(18)14(7-11(8)16)21-13-4-3-9(17(19)20)6-10(13)15/h3-7,18H,2H2,1H3 | | Definition date: | 2014-10-27 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol |
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 | | 3UT | | Name: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine | | Formula: | C24 H18 F2 N4 O3 | | SMILES: | Fc1ncccc1c6cc5c(Oc3c(F)nc(C2=CCCOC2)cc3C54N=C(OC4)N)cc6 | | InChi: | InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1 | | Definition date: | 2014-11-06 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine |
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 | | 3VO | | Name: | (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine | | Formula: | C13 H14 F2 N2 O S | | SMILES: | Fc1ccc(c(F)c1)C32N=C(SCC3CCOC2)N | | InChi: | InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1 | | Definition date: | 2014-11-17 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine |
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 | | 3VP | | Name: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine | | Formula: | C14 H15 F3 N2 O S | | SMILES: | Fc1ccc(c(F)c1)C32N=C(SCC3CC(OC2)CF)N | | InChi: | InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1 | | Definition date: | 2014-11-17 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine |
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 | | 3H5 | | Name: | N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide | | Formula: | C13 H13 N5 O | | SMILES: | O=C(c1cn(nc1C)C)Nc3nc2ccccc2n3 | | InChi: | InChI=1S/C13H13N5O/c1-8-9(7-18(2)17-8)12(19)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16,19) | | Definition date: | 2014-08-19 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide |
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 | | RV1 | | Name: | N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide | | Formula: | C10 H12 N2 O3 S | | SMILES: | O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2 | | InChi: | InChI=1S/C10H12N2O3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13) | | Definition date: | 2014-07-02 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide |
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 | | FK1 | | Name: | 6-bromo-1H-indole | | Formula: | C8 H6 Br N | | SMILES: | Brc1ccc2c(c1)ncc2 | | InChi: | InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H | | Definition date: | 2014-07-02 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 6-bromo-1H-indole |
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 | | 2HZ | | Name: | (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid | | Formula: | C15 H11 N O4 | | SMILES: | O=[N+]([O-])c2cc(c1cccc(/C=CC(=O)O)c1)ccc2 | | InChi: | InChI=1S/C15H11NO4/c17-15(18)8-7-11-3-1-4-12(9-11)13-5-2-6-14(10-13)16(19)20/h1-10H,(H,17,18)/b8-7- | | Definition date: | 2013-12-09 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid |
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 | | HXJ | | Name: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium | | Formula: | C21 H44 N2 O6 P | | SMILES: | O=P(OCC(NC(=O)CCCCC)C(O)/C=C/CCCCC)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C21H43N2O6P/c1-6-8-10-11-13-14-20(24)19(22-21(25)15-12-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h13-14,19-20,24H,6-12,15-18H2,1-5H3,(H-,22,25,26,27)/p+1/b14-13+/t19-,20+/m0/s1 | | Definition date: | 2014-07-11 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | (4S,7S)-4-hydroxy-7-[(1R,2E)-1-hydroxyoct-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphatetradecan-1-aminium 4-oxide |
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 | | HXY | | Name: | 1-(4-bromobenzyl)pyrrolidine | | Formula: | C11 H14 Br N | | SMILES: | Brc1ccc(cc1)CN2CCCC2 | | InChi: | InChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2 | | Definition date: | 2014-07-02 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 1-(4-bromobenzyl)pyrrolidine |
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 | | J47 | | Name: | 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile | | Formula: | C13 H7 Br Cl N O2 | | SMILES: | Brc2cc(C#N)c(Oc1ccc(Cl)cc1O)cc2 | | InChi: | InChI=1S/C13H7BrClNO2/c14-9-1-3-12(8(5-9)7-16)18-13-4-2-10(15)6-11(13)17/h1-6,17H | | Definition date: | 2014-10-27 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile |
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 | | 0JC | | Name: | Di-mu-iodobis(ethylenediamine)diplatinum(II) | | Formula: | C4 H16 I2 N4 Pt2 | | SMILES: | [Pt+]12(NCCN1)I[Pt+]3(I2)NCCN3 | | InChi: | InChI=1S/2C2H8N2.2HI.2Pt/c2*3-1-2-4 | | Definition date: | 2012-01-22 | | Last modified: | 2015-02-26 | | Release date: | 2012-11-30 | | Identifier: | 6$l^{2},12$l^{2}-diioda-1$l^{4},4$l^{4},8$l^{4},11$l^{4}-tetraza-5$l^{4},7$l^{4}-diplatinadispiro[4.1.4^{7}.1^{5}]dodecane |
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 | | WS1 | | Name: | 6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide | | Formula: | C22 H28 N4 O12 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12+,14-,15-,16-,17-,18-,20-,21-/m1/s1 | | Definition date: | 2013-04-29 | | Last modified: | 2015-02-25 | | Release date: | 2013-09-11 | | Identifier: | 5'-deoxy-5'-[({6-[(alpha-L-talopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine |
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