General Information of the Compound
| Compound ID |
CP0565951
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| Compound Name |
2-[2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
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| Formula |
C31H38ClN5O
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| Molecular Weight |
532.132
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| Canonical SMILES |
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C31H38ClN5O/c32-27-10-8-25(9-11-27)13-19-36-20-22-37(23-21-36)30-7-2-1-6-28(30)29-24-26(12-15-33-29)31(38)34-14-5-18-35-16-3-4-17-35/h1-2,6-12,15,24H,3-5,13-14,16-23H2,(H,34,38)
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| InChIKey |
IULGNMCTMRCLOV-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