General Information of the Compound
| Compound ID |
CP0486842
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| Compound Name |
4-anilino-1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C33H38Cl2N4O2
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| Molecular Weight |
593.599
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| Canonical SMILES |
NC(=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1
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| InChI |
InChI=1S/C33H38Cl2N4O2/c34-28-14-13-26(23-29(28)35)32(16-8-20-39(24-32)30(40)25-9-3-1-4-10-25)15-7-19-38-21-17-33(18-22-38,31(36)41)37-27-11-5-2-6-12-27/h1-6,9-14,23,37H,7-8,15-22,24H2,(H2,36,41)
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| InChIKey |
HGSGHCYSIWGOHG-UHFFFAOYSA-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