General Information of the Compound
| Compound ID |
CP0428465
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
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| Structure |
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| Formula |
C29H35N3O4S
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| Molecular Weight |
521.683
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C29H35N3O4S/c1-36-28-8-4-3-7-27(28)32-21-19-31(20-22-32)18-6-5-17-30-29(33)25-11-9-23(10-12-25)24-13-15-26(16-14-24)37(2,34)35/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,30,33)
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| InChIKey |
CWADTSDGYTVLDK-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