General Information of the Compound
| Compound ID |
CP0572983
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| Compound Name |
3-[2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
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| Formula |
C32H39ClN4O
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| Molecular Weight |
531.144
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| Canonical SMILES |
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cccc(c2)C(=O)NCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C32H39ClN4O/c33-29-13-11-26(12-14-29)15-20-36-21-23-37(24-22-36)31-10-2-1-9-30(31)27-7-5-8-28(25-27)32(38)34-16-6-19-35-17-3-4-18-35/h1-2,5,7-14,25H,3-4,6,15-24H2,(H,34,38)
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| InChIKey |
MPKOLPSKPQEKGE-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