General Information of the Compound
| Compound ID |
CP0874372
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| Compound Name |
Trans-2-Chloro-N-[4-((R)-3-fluoro-3-methyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C24H23ClF4N2O2
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| Molecular Weight |
482.905
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| Canonical SMILES |
C[C@]1(F)C(=O)N(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ccccc21
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| InChI |
InChI=1S/C24H23ClF4N2O2/c1-23(26)18-4-2-3-5-20(18)31(22(23)33)13-14-6-9-16(10-7-14)30-21(32)17-12-15(24(27,28)29)8-11-19(17)25/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,30,32)/t14-,16-,23-/m1/s1
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| InChIKey |
WGHPRRDRFJZRQI-GTAYFMOCSA-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