General Information of the Compound
| Compound ID |
CP0502087
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| Compound Name |
N-[3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-2-phenyl-2-pyridin-2-ylacetamide
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| Structure |
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| Formula |
C29H33ClN4O
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| Molecular Weight |
489.063
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| Canonical SMILES |
Clc1cc(NC(=O)C(c2ccccc2)c2ccccn2)ccc1N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C29H33ClN4O/c30-25-21-23(12-13-27(25)34-19-14-24(15-20-34)33-17-7-2-8-18-33)32-29(35)28(22-9-3-1-4-10-22)26-11-5-6-16-31-26/h1,3-6,9-13,16,21,24,28H,2,7-8,14-15,17-20H2,(H,32,35)
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| InChIKey |
ZXZKBILOKRHPGH-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