| 1YL | Name: | Dihydrotanshinone I | Formula: | C18 H14 O3 | SMILES: | O=C2c3c(C=1OCC(C=1C2=O)C)ccc4c(cccc34)C | InChi: | InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1 | Synonyms: | (1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione | Definition date: | 2013-08-05 | Last modified: | 2021-03-13 | Release date: | 2013-10-16 | Identifier: | (1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione |
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| A48 | Name: | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | Formula: | C26 H29 B F3 N O | SMILES: | FC(F)(F)CN(c1ccc(O)cc1)B(c2c(cc(cc2C)C)C)c3c(cc(cc3C)C)C | InChi: | InChI=1S/C26H29BF3NO/c1-16-11-18(3)24(19(4)12-16)27(25-20(5)13-17(2)14-21(25)6)31(15-26(28,29)30)22-7-9-23(32)10-8-22/h7-14,32H,15H2,1-6H3 | Synonyms: | (N-2,2,2-TRIFLUOROETHYL-P-HYDROXYLANILINO)DIMESITYLBORANE | Definition date: | 2007-06-06 | Last modified: | 2021-03-13 | Identifier: | 4-{[bis(2,4,6-trimethylphenyl)boranyl](2,2,2-trifluoroethyl)amino}phenol |
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| MC | Name: | 1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSENE | Formula: | C14 H16 N4 O5 | SMILES: | O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(N)C3O)COC(=O)N | InChi: | InChI=1S/C14H16N4O5/c1-4-8(16)13(21)7-5(3-23-14(17)22)9-12(20)6(15)2-18(9)10(7)11(4)19/h6,12,20H,2-3,15-16H2,1H3,(H2,17,22)/t6-,12-/m0/s1 | Synonyms: | CARBAMIC ACID 2,6-DIAMINO-1-HYDROXY-5-METHYL-4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER | Definition date: | 2001-12-27 | Last modified: | 2021-03-13 | Identifier: | [(1S,2S)-2,7-diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate |
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| 9Z4 | Name: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide | Formula: | C18 H19 N5 O2 | SMILES: | c21n(ccc1)ncc(c2NCc3cccc(c3)NC(=O)CC)C(N)=O | InChi: | InChI=1S/C18H19N5O2/c1-2-16(24)22-13-6-3-5-12(9-13)10-20-17-14(18(19)25)11-21-23-8-4-7-15(17)23/h3-9,11,20H,2,10H2,1H3,(H2,19,25)(H,22,24) | Synonyms: | 4-({[3-(acryloylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide bound form | Definition date: | 2017-07-12 | Last modified: | 2021-03-13 | Release date: | 2017-10-04 | Identifier: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide |
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| 6TD | Name: | 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole | Formula: | C19 H15 N5 O S | SMILES: | n1nc3sc(nn3c1Cc2ccc(OC)cc2)c5cc4ccccc4n5 | InChi: | InChI=1S/C19H15N5OS/c1-25-14-8-6-12(7-9-14)10-17-21-22-19-24(17)23-18(26-19)16-11-13-4-2-3-5-15(13)20-16/h2-9,11,20H,10H2,1H3 | Synonyms: | 6-(1H-indol-2-yl)-3-(4-methoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | Definition date: | 2014-01-10 | Last modified: | 2021-03-13 | Release date: | 2018-07-04 | Identifier: | 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole |
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| C08 | Name: | difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron | Formula: | C22 H31 B F2 N2 O2 | SMILES: | F[B-]3(F)[N+]=1C(C=CC=1CCCCC(=O)O)=Cc2ccc(n23)CCCCCCCC | InChi: | InChI=1S/C22H31BF2N2O2/c1-2-3-4-5-6-7-10-18-13-15-20-17-21-16-14-19(11-8-9-12-22(28)29)27(21)23(24,25)26(18)20/h13-17H,2-12H2,1H3,(H,28,29) | Synonyms: | 4,4-difluoro-5-octyl-4-bora-3a,4a-diaza-s-indacene-3-pentanoic acid | Definition date: | 2008-03-17 | Last modified: | 2021-03-13 | Identifier: | difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron |
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| 3BF | Name: | thiazotropsin B | Formula: | C25 H36 N9 O4 S | SMILES: | O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c3cc(NC(=O)c2nc(NC(=O)C)cn2C)cn3C | InChi: | InChI=1S/C25H35N9O4S/c1-14(2)20-19(23(37)26-9-8-10-32(4)5)30-25(39-20)31-22(36)17-11-16(12-33(17)6)28-24(38)21-29-18(13-34(21)7)27-15(3)35/h11-14H,8-10H2,1-7H3,(H,26,37)(H,27,35)(H,28,38)(H,30,31,36)/p+1 | Synonyms: | 3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium | Definition date: | 2014-07-17 | Last modified: | 2021-03-13 | Release date: | 2014-07-30 | Identifier: | 3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium |
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| 6Q5 | Name: | Ursolic acid | Formula: | C30 H48 O3 | SMILES: | OC(C32CCC1(C)C5(C(CC=C1C2C(C(CC3)C)C)C4(CCC(O)C(C)(C)C4CC5)C)C)=O | InChi: | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | Synonyms: | (3beta,5beta,18alpha,20beta)-3-hydroxyurs-12-en-28-oic acid | Definition date: | 2016-05-20 | Last modified: | 2021-03-13 | Release date: | 2017-05-31 | Identifier: | (3beta,5beta,18alpha,20beta)-3-hydroxyurs-12-en-28-oic acid |
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| EHF | Name: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid | Formula: | C20 H18 N2 O5 | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1ccccc1cc2CN3C(=O)C=4CO)CC | InChi: | InChI=1S/C20H18N2O5/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17/h3-8,23,27H,2,9-10H2,1H3,(H,25,26)/t20-/m0/s1 | Synonyms: | Camptothecin, open form | Definition date: | 2013-07-03 | Last modified: | 2021-03-13 | Release date: | 2013-07-24 | Identifier: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid |
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| 535 | Name: | ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate | Formula: | C9 H10 N2 O2 S | SMILES: | O=C(OCC)c1sc2nccn2c1C | InChi: | InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7/h4-5H,3H2,1-2H3 | Synonyms: | ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate | Definition date: | 2009-09-28 | Last modified: | 2021-03-13 | Identifier: | ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate |
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| 28Y | Name: | 3H-imidazo[2,1-b]purin-4(5H)-one | Formula: | C7 H5 N5 O | SMILES: | O=C3c1c(ncn1)n2c(ncc2)N3 | InChi: | InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13) | Synonyms: | N2,3-ethenoguanine | Definition date: | 2013-09-11 | Last modified: | 2021-03-13 | Release date: | 2014-10-15 | Identifier: | 3H-imidazo[2,1-b]purin-4(5H)-one |
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| BL6 | Name: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Formula: | C18 H16 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C | InChi: | InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 | Synonyms: | S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Definition date: | 2008-01-19 | Last modified: | 2021-03-13 | Identifier: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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| BL7 | Name: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Formula: | C17 H14 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4 | InChi: | InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 | Synonyms: | (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one | Definition date: | 2008-01-19 | Last modified: | 2021-03-13 | Identifier: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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| BMF | Name: | Bromosporine | Formula: | C17 H20 N6 O4 S | SMILES: | c1(ccc(C)c(c1)NS(=O)(C)=O)c2nn3c(c(NC(OCC)=O)c2)nnc3C | InChi: | InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24) | Synonyms: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate | Definition date: | 2015-06-19 | Last modified: | 2021-03-13 | Release date: | 2015-07-07 | Identifier: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate |
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| FC7 | Name: | Fusicoccin A-THF | Formula: | C32 H50 O9 | SMILES: | O5C(OC4C2=C(C(C)C)C1CCOC1C2(C=C3C(COC)CCC3C(C)C4O)C)C(O)C(O)C6OC(OCC56)(C)C | InChi: | InChI=1S/C32H50O9/c1-15(2)22-19-10-11-37-29(19)32(6)12-20-17(13-36-7)8-9-18(20)16(3)24(33)28(23(22)32)40-30-26(35)25(34)27-21(39-30)14-38-31(4,5)41-27/h12,15-19,21,24-30,33-35H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,18+,19+,21-,24-,25-,26-,27-,28-,29+,30-,32-/m1/s1 | Synonyms: | (1S,3aS,4R,5R,6R,7aS,10aS,10bR)-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)-alpha-D-glucopyranoside | Definition date: | 2011-07-06 | Last modified: | 2021-03-13 | Identifier: | (1S,3aS,4R,5R,6R,7aS,10aS,10bR,11E)-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)-alpha-D-glucopyranoside |
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| CY8 | Name: | Cyclopamine | Formula: | C27 H41 N O2 | SMILES: | OC6CC5=CCC4C(CC3=C(C1(OC2CC(CNC2C1C)C)CCC34)C)C5(C)CC6 | InChi: | InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1 | Synonyms: | (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol | Definition date: | 2014-01-07 | Last modified: | 2021-03-13 | Release date: | 2014-03-05 | Identifier: | (3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol |
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| GGT | Name: | Trioxacarcin A | Formula: | C42 H52 O20 | SMILES: | O=C(OC1C(O)(C)CC(OC1C)OC9c5c(c(O)c4c3OC8(OC2OC(C)C(O)(C(=O)C)C(O)C2)C6OC(OC6c3c(cc4c5OC)C)(C(OC)OC)C87OC7)C(=O)C(O)C9)C | InChi: | InChI=1S/C42H52O20/c1-15-10-20-27(31(48)29-28(32(20)51-7)22(11-21(45)30(29)47)58-25-13-38(6,49)35(16(2)55-25)57-19(5)44)33-26(15)34-36-41(60-33,39(14-54-39)42(61-34,62-36)37(52-8)53-9)59-24-12-23(46)40(50,17(3)43)18(4)56-24/h10,16,18,21-25,34-37,45-46,48-50H,11-14H2,1-9H3/t16-,18-,21-,22-,23+,24-,25-,34-,35+,36-,38+,39-,40+,41+,42-/m0/s1 | Synonyms: | (1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-10,12-dihydroxy-7-methoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-4H-spiro[2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromene-1,2'-oxiran]-8-yl 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranoside | Definition date: | 2008-01-31 | Last modified: | 2021-03-13 | Identifier: | (1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-10,12-dihydroxy-7-methoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-4H-spiro[2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromene-1,2'-oxiran]-8-yl 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranoside |
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| AI2 | Name: | 3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL | Formula: | C5 H10 B O7 | SMILES: | OC1C2(O[B-](OC2(OC1)C)(O)O)O | InChi: | InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1 | Synonyms: | (2S,3R,4S)-2-METHYL-3,4-DIHYDROXY-OXOLAN-2,3-DIOXY-BORATE | Definition date: | 2001-09-13 | Last modified: | 2021-03-13 | Identifier: | dihydroxy[(2S,3R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrolato(2-)-kappa~2~O~2~,O~3~]borate(1-) (non-preferred name) |
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| 2PU | Name: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | Formula: | C19 H22 N6 O2 | SMILES: | O=C2c1cccc(c1C3N2CCC3)NC(=O)Nc4nnc(c4)C5NCCC5 | InChi: | InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15-/m0/s1 | Synonyms: | N'-(PYRROLIDINO[2,1-B]ISOINDOLIN-4-ON-8-YL)-N-(5-(PYRROLIDIN-2-YL)PYRAZOL-3-YL)UREA | Definition date: | 2001-02-09 | Last modified: | 2021-03-13 | Identifier: | 1-[(9bS)-5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl]-3-{5-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-3-yl}urea |
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| FSY | Name: | fevipiprant | Formula: | C19 H17 F3 N2 O4 S | SMILES: | OC(Cc1c3c(n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc3)=O | InChi: | InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26) | Synonyms: | (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid | Definition date: | 2018-04-16 | Last modified: | 2021-03-13 | Release date: | 2018-10-03 | Identifier: | (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid |
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| HZM | Name: | 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C28 H36 N4 O4 S | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4 | InChi: | InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m0/s1 | Synonyms: | 2-{(S)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form | Definition date: | 2018-08-01 | Last modified: | 2021-03-13 | Release date: | 2018-11-21 | Identifier: | 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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| HZV | Name: | 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C28 H36 N4 O4 S | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4 | InChi: | InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m1/s1 | Synonyms: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form | Definition date: | 2018-08-01 | Last modified: | 2021-03-13 | Release date: | 2018-11-21 | Identifier: | 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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| DCB | Name: | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE | Formula: | C18 H23 F N2 O14 | SMILES: | [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(C(O)C(O)C1O)CO)C(O)C2F)CO)c([N+]([O-])=O)c3 | InChi: | InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1 | Synonyms: | 2',4'-DINITROPHENYL-2DEOXY-2-FLURO-B-D-CELLOBIOSIDE | Definition date: | 1999-07-08 | Last modified: | 2021-03-13 | Identifier: | 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
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| B20 | Name: | 1,2-dihydro-1,2-azaborinine | Formula: | C4 H6 B N | SMILES: | B1C=CC=CN1 | InChi: | InChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-6H | Synonyms: | 1,2-DIHYDRO-1,2-AZABORINE | Definition date: | 2009-05-21 | Last modified: | 2021-03-13 | Identifier: | 1,2-dihydro-1,2-azaborinine |
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| B24 | Name: | 1-ethyl-1,2-dihydro-1,2-azaborinine | Formula: | C6 H10 B N | SMILES: | B1C=CC=CN1CC | InChi: | InChI=1S/C6H10BN/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 | Synonyms: | 1-ETHYL-2-HYDRO-1,2-AZABORINE | Definition date: | 2009-05-21 | Last modified: | 2021-03-13 | Identifier: | 1-ethyl-1,2-dihydro-1,2-azaborinine |
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