General Information of the Compound
| Compound ID |
CP0445030
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| Compound Name |
N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]acetamide
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| Structure |
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| Formula |
C24H31ClFN3O
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| Molecular Weight |
431.983
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| Canonical SMILES |
CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(C)=O)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C24H31ClFN3O/c1-18-5-10-23(15-24(18)25)29(20(3)30)12-4-11-28-14-13-27(16-19(28)2)17-21-6-8-22(26)9-7-21/h5-10,15,19H,4,11-14,16-17H2,1-3H3
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| InChIKey |
GEXMXJGDZSRNBT-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