General Information of the Compound
| Compound ID |
CP0528322
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| Compound Name |
3-cyano-5-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
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| Formula |
C33H37Cl2N5O
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| Molecular Weight |
590.599
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| Canonical SMILES |
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)cc1Cl
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| InChI |
InChI=1S/C33H37Cl2N5O/c34-30-9-8-25(22-31(30)35)10-15-39-16-18-40(19-17-39)32-7-2-1-6-29(32)27-20-26(24-36)21-28(23-27)33(41)37-11-5-14-38-12-3-4-13-38/h1-2,6-9,20-23H,3-5,10-19H2,(H,37,41)
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| InChIKey |
UOFQGOWSZWZKPR-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