General Information of the Compound
| Compound ID |
CP0565087
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| Compound Name |
4-[[2-[[1-[2-(4-cyanophenyl)ethyl]piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-2-fluorobenzonitrile
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| Formula |
C29H27FN6
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| Molecular Weight |
478.575
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| Canonical SMILES |
Fc1cc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)ccc1C#N
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| InChI |
InChI=1S/C29H27FN6/c30-26-17-23(9-10-24(26)19-32)20-36-28-4-2-1-3-27(28)34-29(36)33-25-12-15-35(16-13-25)14-11-21-5-7-22(18-31)8-6-21/h1-10,17,25H,11-16,20H2,(H,33,34)
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| InChIKey |
RDYWRRQLWIYKDB-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