General Information of the Compound
| Compound ID |
CP0462685
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| Compound Name |
N-[2-(3,4-dichlorophenyl)-4-[4-hydroxy-4-(1H-imidazol-2-yl)piperidin-1-yl]butyl]-N-methylbenzamide
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| Structure |
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| Formula |
C26H30Cl2N4O2
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| Molecular Weight |
501.458
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| Canonical SMILES |
CN(CC(CCN1CCC(O)(CC1)c1ncc[nH]1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H30Cl2N4O2/c1-31(24(33)19-5-3-2-4-6-19)18-21(20-7-8-22(27)23(28)17-20)9-14-32-15-10-26(34,11-16-32)25-29-12-13-30-25/h2-8,12-13,17,21,34H,9-11,14-16,18H2,1H3,(H,29,30)
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| InChIKey |
FWWHFXOSLSCPHG-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