General Information of the Compound
| Compound ID |
CP0417123
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| Compound Name |
N-[3-[1-[3-[[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C31H34N6O
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| Molecular Weight |
506.654
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2Cc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C31H34N6O/c1-23(38)34-28-7-4-6-27(20-28)26-14-18-36(19-15-26)17-5-16-33-31-35-29-8-2-3-9-30(29)37(31)22-25-12-10-24(21-32)11-13-25/h2-4,6-13,20,26H,5,14-19,22H2,1H3,(H,33,35)(H,34,38)
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| InChIKey |
AJAYHXDWVNTBJG-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