General Information of the Compound
| Compound ID |
CP0487859
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| Compound Name |
N-[3-[1-[3-[[1-(4-methylsulfonylphenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H35N5O3S
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| Molecular Weight |
545.709
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2ccc(cc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C30H35N5O3S/c1-22(36)32-25-8-5-7-24(21-25)23-15-19-34(20-16-23)18-6-17-31-30-33-28-9-3-4-10-29(28)35(30)26-11-13-27(14-12-26)39(2,37)38/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,31,33)(H,32,36)
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| InChIKey |
GMGCMYUGTUXMIL-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