General Information of the Compound
| Compound ID |
CP0224978
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| Compound Name |
3-cyano-5-[2-[4-[2-(3-methylphenyl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
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| Formula |
C34H41N5O
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| Molecular Weight |
535.736
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| Canonical SMILES |
Cc1cccc(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c1
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| InChI |
InChI=1S/C34H41N5O/c1-27-8-6-9-28(22-27)12-17-38-18-20-39(21-19-38)33-11-3-2-10-32(33)30-23-29(26-35)24-31(25-30)34(40)36-13-7-16-37-14-4-5-15-37/h2-3,6,8-11,22-25H,4-5,7,12-21H2,1H3,(H,36,40)
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| InChIKey |
NERBFWPZZNGFFV-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