General Information of the Compound
| Compound ID |
CP0445031
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| Compound Name |
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[2-methyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C31H43ClN4O2
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| Molecular Weight |
539.164
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| Canonical SMILES |
CC1CN(Cc2ccc(C)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C31H43ClN4O2/c1-23-6-9-27(10-7-23)22-33-18-19-34(25(3)21-33)14-5-15-36(29-11-8-24(2)30(32)20-29)31(38)28-12-16-35(17-13-28)26(4)37/h6-11,20,25,28H,5,12-19,21-22H2,1-4H3
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| InChIKey |
DEYKOEXQQNSWIG-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