General Information of the Compound
| Compound ID |
CP0432570
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| Compound Name |
[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-[4-(trifluoromethyl)phenyl]methanol
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| Structure |
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| Formula |
C26H24F4N2O
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| Molecular Weight |
456.483
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(cc1)C(F)(F)F)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H24F4N2O/c1-25-14-17-15-31-32(21-11-9-20(27)10-12-21)23(17)13-19(25)3-2-4-22(25)24(33)16-5-7-18(8-6-16)26(28,29)30/h5-13,15,22,24,33H,2-4,14H2,1H3/t22-,24?,25+/m1/s1
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| InChIKey |
IXHMDDYKLDICMG-KIDMSAQOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound