General Information of the Compound
| Compound ID |
CP0527615
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| Compound Name |
4-[2-[4-[[1-[(4-methylsulfonylphenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]benzonitrile
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| Formula |
C29H31N5O2S
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| Molecular Weight |
513.667
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)cc1
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| InChI |
InChI=1S/C29H31N5O2S/c1-37(35,36)26-12-10-24(11-13-26)21-34-28-5-3-2-4-27(28)32-29(34)31-25-15-18-33(19-16-25)17-14-22-6-8-23(20-30)9-7-22/h2-13,25H,14-19,21H2,1H3,(H,31,32)
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| InChIKey |
PEONIXXGISKPKW-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