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HSP
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EthoxyquinCas Number: 91-53-2 EC Number: 202-075-7Formula: C14H19NO Molecular Weight: 217.31IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinolineSMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)CInChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-NInChI: InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3Synonyms: NCGC00016348-07 | Nocrack AW | Spectrum3_001423 | Antage AW | IDI1_000183 | SPBio_002749 | BSPBio_000810 | HSDB 400 |...
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EthoxyquinCas Number: 91-53-2 EC Number: 202-075-7Formula: C14H19NO Molecular Weight: 217.31IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinolineSMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)CInChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-NInChI: InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3Synonyms: NCGC00016348-07 | Nocrack AW | Spectrum3_001423 | Antage AW | IDI1_000183 | SPBio_002749 | BSPBio_000810 | HSDB 400 |...
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RadicicolCas Number: 12772-57-5 Compound CID: 6323491Formula: C18H17ClO6 Molecular Weight: 364.78IUPAC Name: (4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dioneSMILES: CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1InChIKey: WYZWZEOGROVVHK-GTMNPGAYSA-NInChI: show moreSynonyms: (4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0;{6,8}]nonadeca-1(19),9,11,15,17-penta...
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SNX-2112 (PF-04928473)Cas Number: 908112-43-6 Compound CID: 24772860Formula: C23H27F3N4O3 Molecular Weight: 464.48IUPAC Name: 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamideSMILES: CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)CInChIKey: ZFVRYNYOPQZKDG-UHFFFAOYSA-NInChI: show moreSynonyms: HMS3656P07 | Q27461098 | BCP0726000309 | 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-hyd...
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HSP-990Cas Number: 934343-74-5Formula: C20H18FN5O2 Molecular Weight: 379.39IUPAC Name: (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-oneSMILES: CC1=C2C(=NC(=N1)N)CC(NC2=O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OCInChIKey: WSMQUUGTQYPVPD-OAHLLOKOSA-NInChI: show moreSynonyms: (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one | UNII...
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Tamoxifen citrate salt, Estrogen receptor alpha modulatorFormula: C26H29NO·C6H8O7 Molecular Weight: 563.64IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acidSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: FQZYTYWMLGAPFJ-OQKDUQJOSA-NInChI: show moreSynonyms: CCRIS 6718 | HMS2095M14 | Tamoxifen, citrate salt | Tamax | HMS1568M14 | UNII-7FRV7310N6 | AKOS005111126 | ICI-46474 ...
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KNK 437 (Heat Shock Protein Inhibitor I)Cas Number: 218924-25-5Formula: C13H11NO4 Molecular Weight: 245.23IUPAC Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehydeSMILES: C1CN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C=OInChIKey: LZGGUFLRKIMBDQ-BJMVGYQFSA-NInChI: InChI=1S/C13H11NO4/c15-7-14-4-3-10(13(14)16)5-9-1-2-11-12(6-9)18-8-17-11/h1-2,5-7H,3-4,8H2/b10-5+Synonyms: (3E)-3-(1,3-Benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde | A899531 | KNK437 | 3-((2H-1,3-BENZODIOXOL-...
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KRIBB11Cas Number: 342639-96-7Formula: C13H12N6O2 Molecular Weight: 284.28IUPAC Name: 2-N-(1H-indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamineSMILES: CNC1=NC(=C(C=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)NN=C3InChIKey: NDJJEQIMIJJCLL-UHFFFAOYSA-NInChI: InChI=1S/C13H12N6O2/c1-14-12-5-4-11(19(20)21)13(17-12)16-9-2-3-10-8(6-9)7-15-18-10/h2-7H,1H3,(H,15,18)(H2,14,16,17)Synonyms: 2-N-(1H-Indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine
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TamoxifenCas Number: 10540-29-1 EC Number: 234-118-0Formula: C26H29NO Molecular Weight: 371.51IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamineSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-NInChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-Synonyms: Tox21_500494 | UPCMLD-DP027 | (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine | (Z)-2-[4-(1,2)-DIPHENY...
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Teprenone [mixture of (5E,9E,13E)- and (5Z,9E,13E)- isomers]Cas Number: 6809-52-5 Compound CID: 5282199Formula: C23H38O Molecular Weight: 330.56IUPAC Name: (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-oneSMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)CInChIKey: HUCXKZBETONXFO-NJFMWZAGSA-NInChI: InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+Synonyms: Geranylgeranyl acetone | S8S8451A4O | 5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18-tetramethyl-, (E,E,E)- | CCG-267813...
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XL888Cas Number: 1149705-71-4Formula: C29H37N5O3 Molecular Weight: 503.64IUPAC Name: 2-[[(2R)-butan-2-yl]amino]-4-N-[8-[5-(cyclopropanecarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylbenzene-1,4-dicarboxamideSMILES: CCC(C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)NInChIKey: LHGWWAFKVCIILM-LAQKFSSHSA-NInChI: show moreSynonyms: 1,4-Benzenedicarboxamide, N1-[(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methyl-...
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Ganetespib (STA-9090), Heat shock protein HSP90 inhibitorCas Number: 888216-25-9Formula: C20H20N4O3 Molecular Weight: 364.4IUPAC Name: 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazol-5-oneSMILES: CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)OInChIKey: RVAQIUULWULRNW-UHFFFAOYSA-NInChI: InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)Synonyms: EX-A250 | 3-(2,4-Dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-1H-1,2,4-triazol-5(4H)-one | AS-35117 | FT-0...
