General Information of the Compound
| Compound ID |
CP0417122
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| Compound Name |
N-[3-[1-[3-[[1-(4-methylphenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H35N5O
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| Molecular Weight |
481.644
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C30H35N5O/c1-22-11-13-27(14-12-22)35-29-10-4-3-9-28(29)33-30(35)31-17-6-18-34-19-15-24(16-20-34)25-7-5-8-26(21-25)32-23(2)36/h3-5,7-14,21,24H,6,15-20H2,1-2H3,(H,31,33)(H,32,36)
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| InChIKey |
RHBVLGNNZHBQPC-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