General Information of the Compound
| Compound ID |
CP0458333
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| Compound Name |
2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
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| Structure |
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| Formula |
C25H31Cl2N3O2
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| Molecular Weight |
476.448
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| Canonical SMILES |
CN(C)CC1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H31Cl2N3O2/c1-29(2)17-20-11-13-30(14-12-20)25(32)23(15-18-3-7-21(26)8-4-18)28-24(31)16-19-5-9-22(27)10-6-19/h3-10,20,23H,11-17H2,1-2H3,(H,28,31)/t23-/m1/s1
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| InChIKey |
UXZOCCSROTXLOC-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