| PIT | Name: | PICEATANNOL | Formula: | C14 H12 O4 | SMILES: | Oc2ccc(C=Cc1cc(O)cc(O)c1)cc2O | InChi: | InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+ | Synonyms: | 4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL | Definition date: | 2007-07-05 | Last modified: | 2021-03-13 | Identifier: | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
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| PIU | Name: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM | Formula: | C16 H21 N2 O2 S | SMILES: | O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc2C)C)C | InChi: | InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1 | Synonyms: | 1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM | Definition date: | 2005-04-22 | Last modified: | 2021-03-13 | Identifier: | 2,4,6-trimethyl-1-[2-(4-sulfamoylphenyl)ethyl]pyridinium |
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| BP7 | Name: | 1,1'-BIPHENYL-3,4-DIOL | Formula: | C12 H10 O2 | SMILES: | Oc2ccc(c1ccccc1)cc2O | InChi: | InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H | Synonyms: | 3,4-DIHYDROXYBIPHENYL | Definition date: | 2005-12-14 | Last modified: | 2021-03-13 | Identifier: | biphenyl-3,4-diol |
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| 85A | Name: | 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE | Formula: | C23 H22 Cl N7 O3 | SMILES: | Clc4cc2c(OCCCCCOc1nc(cnc1C#N)NC(=O)N2)cc4NCc3ccncc3 | InChi: | InChI=1S/C23H22ClN7O3/c24-16-10-18-20(11-17(16)27-13-15-4-6-26-7-5-15)33-8-2-1-3-9-34-22-19(12-25)28-14-21(30-22)31-23(32)29-18/h4-7,10-11,14,27H,1-3,8-9,13H2,(H2,29,30,31,32) | Synonyms: | 7-CHLORO-3-OXO-8-[(PYRIDIN-4-YLMETHYL)-AMINO]-11,17-DIOXA-2,4,20,22-TETRAAZA-TRICYCLO[16.3.1.0*5,10*]DOCOSA-1(21),5(10)6,8,18(22),19-HEXAENE-19-CARBONITRILE | Definition date: | 2007-02-01 | Last modified: | 2021-03-13 | Identifier: | 18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1H,10H-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile |
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| 8A3 | Name: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide | Formula: | C27 H25 F6 N5 O3 S | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)CC(F)(F)F)C(=C(N)Oc4n[nH]c(C)c14)C#N | InChi: | InChI=1S/C27H25F6N5O3S/c1-14(2)26(21(12-34)23(35)41-24-22(26)15(3)36-37-24)18-9-17(10-19(11-18)27(31,32)33)16-5-7-20(8-6-16)42(39,40)38(4)13-25(28,29)30/h5-11,14H,13,35H2,1-4H3,(H,36,37)/t26-/m0/s1 | Synonyms: | (s)-3'-(6-amino-5-cyano-4-isopropyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-5'-(trifluoromethyl)-[1,1'-biphenyl]-4-sulfonamide | Definition date: | 2017-05-25 | Last modified: | 2021-03-13 | Release date: | 2017-11-29 | Identifier: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide |
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| 8A6 | Name: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide | Formula: | C32 H30 F3 N5 O3 S | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccc(cc3)[S](=O)(=O)N(C)Cc4ccccc4)C(=C(N)Oc5n[nH]c(C)c15)C#N | InChi: | InChI=1S/C32H30F3N5O3S/c1-19(2)31(27(17-36)29(37)43-30-28(31)20(3)38-39-30)24-14-23(15-25(16-24)32(33,34)35)22-10-12-26(13-11-22)44(41,42)40(4)18-21-8-6-5-7-9-21/h5-16,19H,18,37H2,1-4H3,(H,38,39)/t31-/m0/s1 | Synonyms: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide | Definition date: | 2017-05-25 | Last modified: | 2021-03-13 | Release date: | 2017-11-29 | Identifier: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide |
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| PY8 | Name: | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE | Formula: | C13 H14 Br N5 O2 S | SMILES: | Brc1c3nc(nc1)Nc2cccc(c2)S(=O)(=O)NCCCN3 | InChi: | InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19) | Synonyms: | 1(5)-BROMO-4-THIA-2,5,9-TRIAZA-1(2,4)-PYRIMIDINA-3(1,3)-BENZENACYLCLANONAPHANE-4,4-DIOXIDE | Definition date: | 2006-11-13 | Last modified: | 2021-03-13 | Identifier: | 6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide |
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| PQR | Name: | 4-[methyl(nitroso)amino]benzene-1,2-diol | Formula: | C7 H8 N2 O3 | SMILES: | O=NN(c1cc(O)c(O)cc1)C | InChi: | InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3 | Synonyms: | Methyl-3,4-dephostatin | Definition date: | 2012-01-03 | Last modified: | 2021-03-13 | Identifier: | 4-[methyl(nitroso)amino]benzene-1,2-diol |
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| SZV | Name: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid | Formula: | C20 H14 N4 O5 | SMILES: | c2(c(n1c(cncc1)n2)Nc3ccc(c(C(O)=O)c3)C(O)=O)c4c(cccc4)O | InChi: | InChI=1S/C20H14N4O5/c25-15-4-2-1-3-13(15)17-18(24-8-7-21-10-16(24)23-17)22-11-5-6-12(19(26)27)14(9-11)20(28)29/h1-10,22,25H,(H,26,27)(H,28,29) | Definition date: | 2020-03-16 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid |
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| U6G | Name: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide | Formula: | C24 H20 Cl2 N2 O2 | SMILES: | c4(ccc(C(=O)NCc1ccc2c(c1)CCCN2C(=O)c3cccc(c3)Cl)cc4)Cl | InChi: | InChI=1S/C24H20Cl2N2O2/c25-20-9-7-17(8-10-20)23(29)27-15-16-6-11-22-18(13-16)4-2-12-28(22)24(30)19-3-1-5-21(26)14-19/h1,3,5-11,13-14H,2,4,12,15H2,(H,27,29) | Definition date: | 2020-04-28 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide |
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| Z23 | Name: | DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE | Formula: | C20 H19 F2 N5 O2 | SMILES: | Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(C(=[NH2+])N)c2)c(F)c3C | InChi: | InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+2 | Synonyms: | ZK-805623 | Definition date: | 1999-08-30 | Last modified: | 2021-03-01 | Identifier: | [(3,5-difluoro-4-methylpyridine-2,6-diyl)bis(oxybenzene-3,1-diyl)]bis(aminomethaniminium) |
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| YOM | Name: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | Formula: | C20 H14 Fe N2 O2 | SMILES: | O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6 | InChi: | InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24 | Synonyms: | SALOPHEN IRON CHELATE | Definition date: | 2005-03-15 | Last modified: | 2021-03-01 | Identifier: | [2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+) |
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| WAY | Name: | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-BENZAMIDE | Formula: | C21 H21 N3 O5 S | SMILES: | O=C(NO)c3cccc(c3N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C | InChi: | InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | Synonyms: | WAY-151693 | Definition date: | 2000-08-18 | Last modified: | 2021-03-01 | Identifier: | N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](pyridin-3-ylmethyl)amino}-3-methylbenzamide |
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| V2A | Name: | neoseptin 3 | Formula: | C29 H34 N2 O4 | SMILES: | C(c1ccccc1)CC(C(OC(C)(C)C)=O)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N | InChi: | InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1 | Synonyms: | tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate | Definition date: | 2020-06-17 | Last modified: | 2021-03-01 | Release date: | 2020-07-01 | Identifier: | tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate |
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| ZYX | Name: | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | Formula: | C8 H12 N2 O2 S | SMILES: | O=S(=O)(c1ccc(cc1)CCN)N | InChi: | InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) | Synonyms: | P-AMINOETHYL BENZENESULFONAMIDE | Definition date: | 2006-10-30 | Last modified: | 2021-03-01 | Identifier: | 4-(2-aminoethyl)benzenesulfonamide |
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| SEZ | Name: | 1,3,5-trimethylbenzene | Formula: | C9 H12 | SMILES: | Cc1cc(C)cc(C)c1 | InChi: | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 | Synonyms: | mesitylene | Definition date: | 2020-11-13 | Last modified: | 2021-03-01 | Release date: | 2020-12-02 | Identifier: | 1,3,5-trimethylbenzene |
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| BBA | Name: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE | Formula: | C23 H28 N4 O | SMILES: | O=C1C(CCCCC1Cc2ccc(C(=[N@H])N)cc2)Cc3ccc(C(=[N@H])N)cc3 | InChi: | InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1 | Synonyms: | BIS-BENZAMIDINE | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 4,4'-{[(1S,3S)-2-oxocycloheptane-1,3-diyl]dimethanediyl}dibenzenecarboximidamide |
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| SFY | Name: | 4-amino-N-(pyridin-2-yl)benzenesulfonamide | Formula: | C11 H11 N3 O2 S | SMILES: | O=S(=O)(Nc1ncccc1)c2ccc(N)cc2 | InChi: | InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) | Synonyms: | Sulfapyridine | Definition date: | 2012-11-09 | Last modified: | 2021-03-01 | Release date: | 2013-06-05 | Identifier: | 4-amino-N-(pyridin-2-yl)benzenesulfonamide |
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| BDA | Name: | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | Formula: | C62 H66 N2 O20 | SMILES: | O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(O)C(C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(O)C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)C%10)C | InChi: | InChI=1S/C62H64N2O20/c1-25-51(67)35(17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-36-18-42(82-26(2)52(36)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1 | Synonyms: | WP631 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | (2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyltetrahydro-2H-pyran-4-aminium) (non-preferred name) |
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| BHT | Name: | N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | Formula: | C37 H30 N3 O9 S3 | SMILES: | O=S(=O)(O)c1cccc(c1)Nc2ccc(cc2)C(=C4/C=C/C(=[NH+]c3ccc(cc3)S(=O)(=O)O)C=C4)c6ccc(Nc5cccc(c5)S(=O)(=O)O)cc6 | InChi: | InChI=1S/C37H29N3O9S3/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49/h1-24,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)/p+1 | Synonyms: | BLUE HT | Definition date: | 2005-06-03 | Last modified: | 2021-03-01 | Identifier: | N-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]-4-sulfoanilinium |
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| G90 | Name: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile | Formula: | C22 H25 N3 O2 | SMILES: | N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1 | Synonyms: | BUCINDOLOL | Definition date: | 2012-03-11 | Last modified: | 2021-03-01 | Identifier: | 2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile |
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| SYN | Name: | ethenylbenzene | Formula: | C8 H8 | SMILES: | C=Cc1ccccc1 | InChi: | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 | Synonyms: | styrene | Definition date: | 2012-10-15 | Last modified: | 2021-03-01 | Release date: | 2013-05-01 | Identifier: | ethenylbenzene |
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| GBJ | Name: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol | Formula: | C20 H20 O4 | SMILES: | O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C | InChi: | InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 | Synonyms: | glabridin | Definition date: | 2013-10-24 | Last modified: | 2021-03-01 | Release date: | 2014-02-19 | Identifier: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol |
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| GCZ | Name: | N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide | Formula: | C15 H21 N3 O3 S | SMILES: | O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C | InChi: | InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+ | Synonyms: | gliclazide | Definition date: | 2015-04-30 | Last modified: | 2021-03-01 | Release date: | 2015-11-25 | Identifier: | N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide |
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| C4M | Name: | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | Formula: | C20 H28 N2 O4 S | SMILES: | O=S(=O)(c1c(cc(OC)c(c1C)C)C)NCC(O)C(N)Cc2ccccc2 | InChi: | InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1 | Synonyms: | INHIBITOR OF THROMBIN | Definition date: | 2005-12-09 | Last modified: | 2021-03-01 | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide |
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