General Information of the Compound
| Compound ID |
CP0902362
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| Compound Name |
Trans-2-Chloro-N-[4-(5-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C25H25ClF4N2O2
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| Molecular Weight |
496.932
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| Canonical SMILES |
CC1(C)C(=O)N(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ccc(F)cc21
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| InChI |
InChI=1S/C25H25ClF4N2O2/c1-24(2)19-12-16(27)6-10-21(19)32(23(24)34)13-14-3-7-17(8-4-14)31-22(33)18-11-15(25(28,29)30)5-9-20(18)26/h5-6,9-12,14,17H,3-4,7-8,13H2,1-2H3,(H,31,33)/t14-,17-
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| InChIKey |
JLBDCGICXXHDOX-CZIWCDLHSA-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