General Information of the Compound
| Compound ID |
CP0398652
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| Compound Name |
N-[3-[1-[3-[[1-(4-chlorophenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C29H32ClN5O
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| Molecular Weight |
502.062
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C29H32ClN5O/c1-21(36)32-25-7-4-6-23(20-25)22-14-18-34(19-15-22)17-5-16-31-29-33-27-8-2-3-9-28(27)35(29)26-12-10-24(30)11-13-26/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,33)(H,32,36)
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| InChIKey |
FGDJVYHIWKDZEM-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