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Thienodiazepines
Description:
Heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
Ancestors:
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MS417Cas Number: 916489-36-6 Compound CID: 59190723Formula: C20H19ClN4O2S Molecular Weight: 414.91IUPAC Name: methyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)CInChIKey: GGRCIHACOIMRKY-HNNXBMFYSA-NInChI: InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1
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bepafantCas Number: 114776-28-2 Compound CID: 65923Formula: C23H22ClN5O2S Molecular Weight: 467.97IUPAC Name: [9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanoneSMILES: CC1=NN=C2N1C3=C(C4=C(S3)CC(C4)C(=O)N5CCOCC5)C(=NC2)C6=CC=CC=C6ClInChIKey: FWYVRZOREBYLCY-UHFFFAOYSA-NInChI: InChI=1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3Synonyms: Bepafant [INN] | 6-(2-chlorophenyl)-1-methyl-8,9-dihydro-4H,7H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4...
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TEN-010Cas Number: 1349719-98-7Formula: C27H34ClN7OS Molecular Weight: 540.12IUPAC Name: show moreSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)CInChIKey: PKQXLRYFPSZKDU-QFIPXVFZSA-NInChI: show moreSynonyms: JQ-35, (S)- | TA3QN7788D | (S)-JQ35 | (S)-JQ-35 | 1349719-98-7 | Bet inhibitor TEN-010 | RO6870810 | Ro-6870810 | TEN...
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israpafantCas Number: 117279-73-9 Compound CID: 119175IUPAC Name: 7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaeneSMILES: CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)CInChIKey: RMSWMRJVUJSDGN-UHFFFAOYSA-NInChI: show moreSynonyms: NCGC00183008-01 | DTXSID5020312 | AKOS040748599 | 4-(2-chlorophenyl)-6,9-dimethyl-2-{2-[4-(2-methylpropyl)phenyl]ethy...
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[³H]apafantIUPAC Name: 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-oneSMILES: O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1ClInChIKey: JGPJQFOROWSRRS-UHFFFAOYSA-NInChI: InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3Synonyms: DTXCID5028900 | HMS3268N16 | NCGC00092377-04 | PDSP1_000669 | 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,...
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MS417SMILES: COC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)CInChIKey: GGRCIHACOIMRKY-HNNXBMFYSA-NInChI: InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1
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BN 50739IUPAC Name: show moreSMILES: COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1ClInChIKey: MRVWRDZEYURFSW-UHFFFAOYSA-NInChI: show moreSynonyms: GTPL1851 | 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 6-(2-chlorophenyl)-9-(2-((3,4-dimet...
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(+)-JQ1Cas Number: 1268524-70-4Formula: C23H25ClN4O2S Molecular Weight: 456.99IUPAC Name: tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)CInChIKey: DNVXATUJJDPFDM-KRWDZBQOSA-NInChI: show moreSynonyms: Tox21_303984 | (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic ...
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OTX015Cas Number: 202590-98-5Formula: C25H22ClN5O2S Molecular Weight: 491.99IUPAC Name: show moreSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)CInChIKey: GNMUEVRJHCWKTO-FQEVSTJZSA-NInChI: show moreSynonyms: birabresib|202590-98-5|OTX015|OTX-015|OTX 015|MK-8628|OTX-015 anhydrous|Birabresib [USAN]|Y-803 anhydrous|(S)-2-(4-(4...
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CPI203Cas Number: 1446144-04-2Formula: C19H18ClN5OS Molecular Weight: 399.9IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamideSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)N)C4=CC=C(C=C4)Cl)CInChIKey: QECMENZMDBOLDR-AWEZNQCLSA-NInChI: InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)/t14-/m0/s1Synonyms: (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
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(-)-JQ-1Cas Number: 1268524-71-5Formula: C23H25ClN4O2S Molecular Weight: 456.99IUPAC Name: tert-butyl 2-[(9R)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)CInChIKey: DNVXATUJJDPFDM-QGZVFWFLSA-NInChI: show moreSynonyms: 1268524-71-5|(R)-(-)-JQ1 Enantiomer|(-)-JQ1|(-)-JQ-1|(R)-JQ1|6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-a...
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(+)-JQ1 carboxylic acidCas Number: 202592-23-2Formula: C19H17ClN4O2S Molecular Weight: 400.88IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acidSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)O)C4=CC=C(C=C4)Cl)CInChIKey: LJOSBOOJFIRCSO-AWEZNQCLSA-NInChI: InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1Synonyms: 202592-23-2|JQ-1 carboxylic acid|JQ-1 (carboxylic acid)|(+)-JQ1 carboxylic acid|JQ1 Carboxylic Acid|6H-Thieno[3,2-f][...

