General Information of the Compound
| Compound ID |
CP0464859
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| Compound Name |
3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-chlorophenyl)-N-[(3R)-2-oxoazepan-3-yl]benzamide
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| Structure |
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| Formula |
C29H24ClF6N3O3
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| Molecular Weight |
611.97
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| Canonical SMILES |
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O
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| InChI |
InChI=1S/C29H24ClF6N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1
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| InChIKey |
HSKGUZGJDJTCIJ-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