General Information of the Compound
| Compound ID |
CP0445033
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| Compound Name |
N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C29H40ClFN4O3S
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| Molecular Weight |
579.182
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| Canonical SMILES |
CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C29H40ClFN4O3S/c1-22-5-10-27(19-28(22)30)35(29(36)25-11-15-34(16-12-25)39(3,37)38)14-4-13-33-18-17-32(20-23(33)2)21-24-6-8-26(31)9-7-24/h5-10,19,23,25H,4,11-18,20-21H2,1-3H3
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| InChIKey |
NABRBUNCQKXEBI-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