General Information of the Compound
| Compound ID |
CP0570592
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| Compound Name |
4-[[2-[[1-[2-(4-cyanophenyl)ethyl]piperidin-4-yl]amino]benzimidazol-1-yl]methyl]benzoic acid
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| Formula |
C29H29N5O2
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| Molecular Weight |
479.584
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| Canonical SMILES |
OC(=O)c1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)cc1
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| InChI |
InChI=1S/C29H29N5O2/c30-19-22-7-5-21(6-8-22)13-16-33-17-14-25(15-18-33)31-29-32-26-3-1-2-4-27(26)34(29)20-23-9-11-24(12-10-23)28(35)36/h1-12,25H,13-18,20H2,(H,31,32)(H,35,36)
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| InChIKey |
RGQGZPGNTYBYOE-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