General Information of the Compound
| Compound ID |
CP0565373
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| Compound Name |
4-[2-[4-[[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]benzonitrile
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| Formula |
C29H28N6
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| Molecular Weight |
460.585
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| Canonical SMILES |
N#Cc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C29H28N6/c30-19-23-7-5-22(6-8-23)13-16-34-17-14-26(15-18-34)32-29-33-27-3-1-2-4-28(27)35(29)21-25-11-9-24(20-31)10-12-25/h1-12,26H,13-18,21H2,(H,32,33)
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| InChIKey |
KOSPEUGZVCRJPK-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