General Information of the Compound
| Compound ID |
CP0495065
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| Compound Name |
[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
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| Structure |
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| Formula |
C27H29Cl2N3O
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| Molecular Weight |
482.455
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| Canonical SMILES |
Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3ncccc3c2)cc1Cl
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| InChI |
InChI=1S/C27H29Cl2N3O/c28-24-5-3-20(17-25(24)29)16-19-7-12-31(13-8-19)23-9-14-32(15-10-23)27(33)22-4-6-26-21(18-22)2-1-11-30-26/h1-6,11,17-19,23H,7-10,12-16H2
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| InChIKey |
JIVMLAUZOHRZPP-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