General Information of the Compound
| Compound ID |
CP0496391
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| Compound Name |
2-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
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| Formula |
C31H37Cl2N5O
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| Molecular Weight |
566.577
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| Canonical SMILES |
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C31H37Cl2N5O/c32-27-9-8-24(22-28(27)33)11-17-37-18-20-38(21-19-37)30-7-2-1-6-26(30)29-23-25(10-13-34-29)31(39)35-12-5-16-36-14-3-4-15-36/h1-2,6-10,13,22-23H,3-5,11-12,14-21H2,(H,35,39)
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| InChIKey |
AQYQGZWCMFDYDI-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