General Information of the Compound
| Compound ID |
CP0322272
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| Compound Name |
5-[2-[4-[2-(3,4-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C31H35Cl2N5O2
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| Molecular Weight |
580.56
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| Canonical SMILES |
Clc1ccc(CC(=O)N2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C31H35Cl2N5O2/c32-27-9-8-23(18-28(27)33)19-30(39)38-16-14-37(15-17-38)29-7-2-1-6-26(29)24-20-25(22-34-21-24)31(40)35-10-5-13-36-11-3-4-12-36/h1-2,6-9,18,20-22H,3-5,10-17,19H2,(H,35,40)
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| InChIKey |
HDQVURZQHZFYSY-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