General Information of the Compound
| Compound ID |
CP0504453
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| Compound Name |
1-benzoyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C35H42ClFN4O2
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| Molecular Weight |
605.198
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| Canonical SMILES |
CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(=O)c1ccccc1)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C35H42ClFN4O2/c1-26-9-14-32(23-33(26)36)41(35(43)30-15-19-40(20-16-30)34(42)29-7-4-3-5-8-29)18-6-17-39-22-21-38(24-27(39)2)25-28-10-12-31(37)13-11-28/h3-5,7-14,23,27,30H,6,15-22,24-25H2,1-2H3
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| InChIKey |
IRXPYSOEJZVFBM-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