General Information of the Compound
| Compound ID |
CP0406237
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| Compound Name |
3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(3,4-dichlorophenyl)-N-[(3R)-2-oxoazepan-3-yl]benzamide
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| Structure |
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| Formula |
C29H23Cl2F6N3O3
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| Molecular Weight |
646.415
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| Canonical SMILES |
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCCNC1=O
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| InChI |
InChI=1S/C29H23Cl2F6N3O3/c1-40(27(43)17-10-18(28(32,33)34)14-19(11-17)29(35,36)37)24-13-16(25(41)39-23-4-2-3-9-38-26(23)42)5-7-20(24)15-6-8-21(30)22(31)12-15/h5-8,10-14,23H,2-4,9H2,1H3,(H,38,42)(H,39,41)/t23-/m1/s1
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| InChIKey |
KSHDGXNWPURXHX-HSZRJFAPSA-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