General Information of the Compound
| Compound ID |
CP0264631
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| Compound Name |
5-[2-[4-[3-(3,4-dichlorophenyl)propanoyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C32H37Cl2N5O2
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| Molecular Weight |
594.587
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| Canonical SMILES |
Clc1ccc(CCC(=O)N2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C32H37Cl2N5O2/c33-28-10-8-24(20-29(28)34)9-11-31(40)39-18-16-38(17-19-39)30-7-2-1-6-27(30)25-21-26(23-35-22-25)32(41)36-12-5-15-37-13-3-4-14-37/h1-2,6-8,10,20-23H,3-5,9,11-19H2,(H,36,41)
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| InChIKey |
NEPXNKLCYFDYRY-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