 | | UPG | | Name: | URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Formula: | C15 H24 N2 O17 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O | | InChi: | InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 | | Synonyms: | URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | UQA | | Name: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione | | Formula: | C12 H12 N2 O3 | | SMILES: | CCC1(C(NC(=O)NC1=O)=O)c2ccccc2 | | InChi: | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) | | Synonyms: | Phenobarbital | | Definition date: | 2020-05-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-09 | | Identifier: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione |
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 | | URD | | Name: | 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE | | Formula: | C10 H13 N O6 | | SMILES: | O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1 | | Synonyms: | 3-DEAZAURIDINE | | Definition date: | 2005-04-08 | | Last modified: | 2021-03-01 | | Identifier: | 1-beta-D-ribofuranosylpyridine-2,4(1H,3H)-dione |
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 | | US2 | | Name: | 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) | | Formula: | C10 H15 N2 O8 P S | | SMILES: | O=C1NC(=O)N(C=C1SC)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N2O8PS/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1 | | Synonyms: | 5-SMe-deoxyuridine-5'-phosphate | | Definition date: | 2009-06-10 | | Last modified: | 2021-03-01 | | Identifier: | 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) |
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 | | US3 | | Name: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one | | Formula: | C10 H15 N2 O7 P Se | | SMILES: | O=P(O)(O)OCC2OC(N1C(=NC(=O)C(=C1)C)[SeH])CC2O | | InChi: | InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1 | | Synonyms: | 2-Se-Thymidine-5'-phosphate | | Definition date: | 2009-06-15 | | Last modified: | 2021-03-01 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one |
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 | | US5 | | Name: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one | | Formula: | C9 H13 N2 O8 P Se | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C([SeH])C=C1)C(O)C2O | | InChi: | InChI=1S/C9H13N2O8PSe/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 4-Se-ribouridine-5'-phosphate | | Definition date: | 2009-07-17 | | Last modified: | 2021-03-01 | | Identifier: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one |
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 | | UT0 | | Name: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone | | Formula: | C19 H20 N2 O4 S | | SMILES: | CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O | | InChi: | InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3 | | Synonyms: | UT07C | | Definition date: | 2016-12-09 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-20 | | Identifier: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone |
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 | | UTX | | Name: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide | | Formula: | C21 H29 B12 N6 O5 S | | SMILES: | ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 | | InChi: | InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1 | | Synonyms: | UTX-97 | | Definition date: | 2016-12-08 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-28 |
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 | | UVP | | Name: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium | | Formula: | C11 H16 N2 O8 P | | SMILES: | O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O | | InChi: | InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1 | | Synonyms: | uridine vinyl phosphonate | | Definition date: | 2016-11-15 | | Last modified: | 2021-03-01 | | Release date: | 2016-12-14 | | Identifier: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium |
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 | | UW5 | | Name: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol | | Formula: | C22 H23 N5 O2 | | SMILES: | OC(Cn2c1ncnc(c1c(n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C | | InChi: | InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25) | | Synonyms: | UW1553 | | Definition date: | 2017-10-30 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-06 | | Identifier: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol |
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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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 | | V2H | | Name: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol | | Formula: | C28 H44 O2 | | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 | | Synonyms: | 1-alpha-hydroxy-vitamin D2 | | Definition date: | 2008-07-02 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol |
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 | | V47 | | Name: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine | | Formula: | C19 H19 N5 O6 | | SMILES: | OC2C(CCC(=O)c1cccc(C(=O)O)c1)OC(C2O)n4cnc3c4ncnc3N | | InChi: | InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 | | Synonyms: | Aminofutalosine | | Definition date: | 2020-06-23 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-15 | | Identifier: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine |
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 | | V55 | | Name: | 4-hydroxy-3-methoxybenzaldehyde | | Formula: | C8 H8 O3 | | SMILES: | O=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 | | Synonyms: | p-vanillin | | Definition date: | 2008-04-29 | | Last modified: | 2021-03-01 | | Identifier: | 4-hydroxy-3-methoxybenzaldehyde |
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 | | V6D | | Name: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione | | Formula: | C30 H43 N3 O4 S | | SMILES: | C1(=CC=CC(=O)OC(Cc2scc(CCC(N)CC(=O)OC(C1)C)n2)[C@H]=C(C)C=[C@H]C(C)=[C@H]CN(C)C)C | | InChi: | InChI=1S/C30H43N3O4S/c1-21(14-15-33(5)6)10-11-23(3)17-27-19-28-32-26(20-38-28)13-12-25(31)18-30(35)36-24(4)16-22(2)8-7-9-29(34)37-27/h7-11,14,17,20,24-25,27H,12-13,15-16,18-19,31H2,1-6H3/b9-7-,11-10+,21-14+,22-8+,23-17+/t24-,25+,27+/m0/s1 | | Synonyms: | des-methyl Pateamine A | | Definition date: | 2020-07-07 | | Last modified: | 2021-03-01 | | Release date: | 2021-01-06 | | Identifier: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione |
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 | | V7G | | Name: | N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Formula: | C30 H35 N5 O5 S | | SMILES: | C(C(NC(=O)C(NC(c2cc1c(OC)cccc1n2)=O)CC(C)C)CC3CCNC3=O)(c5nc4c(cccc4)s5)O | | InChi: | InChI=1S/C30H35N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,26,32,36H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-,26-/m0/s1 | | Synonyms: | GRL-024-20 | | Definition date: | 2020-07-13 | | Last modified: | 2021-03-01 | | Release date: | 2020-08-19 | | Identifier: | N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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 | | VCA | | Name: | VACCENIC ACID | | Formula: | C18 H34 O2 | | SMILES: | O=C(O)CCCCCCCCCC=C/CCCCCC | | InChi: | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7- | | Synonyms: | (11E)-OCTADEC-11-ENOIC ACID | | Definition date: | 2005-07-20 | | Last modified: | 2021-03-01 | | Identifier: | (11Z)-octadec-11-enoic acid |
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 | | VCG | | Name: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside | | Formula: | C32 H60 O10 | | SMILES: | C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC | | InChi: | InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1 | | Synonyms: | Polysorbate 80 | | Definition date: | 2020-07-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-08-26 | | Identifier: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside |
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 | | VDM | | Name: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL | | Formula: | C14 H25 N O8 | | SMILES: | OC2C(NC1C=C(CO)C(O)C(O)C1O)CC(C(O)C2O)CO | | InChi: | InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 | | Synonyms: | VALIDOXYLAMINE | | Definition date: | 2007-01-25 | | Last modified: | 2021-03-01 | | Identifier: | (1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol |
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 | | VDY | | Name: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL | | Formula: | C27 H44 O2 | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)/C(=C)CC3 | | InChi: | InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 | | Synonyms: | 25-HYDROXYVITAMIN D3 | | Definition date: | 2001-05-18 | | Last modified: | 2021-03-01 | | Identifier: | (3S,5Z,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-3,25-diol |
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 | | VF1 | | Name: | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol | | Formula: | C28 H32 N2 O2 | | SMILES: | C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC | | InChi: | InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1 | | Synonyms: | BU72 | | Definition date: | 2020-08-05 | | Last modified: | 2021-03-01 | | Release date: | 2021-02-10 | | Identifier: | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol |
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 | | VGL | | Name: | PYRAZINE-2-CARBOXYLIC ACID | | Formula: | C5 H4 N2 O2 | | SMILES: | O=C(O)c1nccnc1 | | InChi: | InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9) | | Synonyms: | PYRAZINOIC ACID | | Definition date: | 2009-09-15 | | Last modified: | 2021-03-01 | | Identifier: | pyrazine-2-carboxylic acid |
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 | | VGP | | Name: | (1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol | | Formula: | C27 H28 O9 | | SMILES: | OC1C(OC(C(O)C)C1O)c5c4c3OC(O)c2cc(C=C)cc(OC)c2c3cc(OC)c4c(O)cc5 | | InChi: | InChI=1S/C27H28O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h5-11,22-24,26-32H,1H2,2-4H3/t11-,22-,23-,24+,26-,27-/m1/s1 | | Synonyms: | pregilvocarcin V | | Definition date: | 2010-11-30 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol |
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 | | VH2 | | Name: | N-[5-[(4-BROMOPHENYL)METHYL]-4-HYDROXY-1,3-THIAZOL-2-YL]NAPHTHALENE-1-SULFONAMIDE | | Formula: | C20 H15 Br N2 O3 S2 | | SMILES: | Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4 | | InChi: | InChI=1S/C20H15BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,24H,12H2,(H,22,23) | | Synonyms: | PITSTOP 2 | | Definition date: | 2010-11-25 | | Last modified: | 2021-03-01 | | Identifier: | N-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide |
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 | | G3C | | Name: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | | Formula: | C16 H16 Cl N O3 | | SMILES: | Oc1ccc(cc1)[CH]2CNCCc3c(Cl)c(O)c(O)cc23 | | InChi: | InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m1/s1 | | Definition date: | 2020-07-21 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | (1~{R})-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-3-benzazepine-7,8-diol |
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