Chemical Formula: | C25H25F3N2O2 |
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Molecular Weight: | 442.47 |
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Synonyms: | AZD9496; (E)-3-[3,5-Difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]acrylic acid; 3-[3,5-Difluoro-4-[(1r,3r)-2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1h-pyrido[3,4-b]indol-1-yl]phenyl]-2-propenoic acid |
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MDL No.: | MFCD28902195 |
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EINECS / EC No.: | N/A |
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Pubchem CID: | 86287635 |
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IUPAC Name: | (E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid |
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Standard InchI: | InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 |
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InchI Key: | DFBDRVGWBHBJNR-BBNFHIFMSA-N |
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SMILES: | CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24 |
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Appearance: | - |
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Melting Point: | N/A |
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Boiling Point: | N/A |
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Density (Theoretical): | N/A |
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