General Information of the Compound
| Compound ID |
CP0405585
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| Compound Name |
N-[3-[1-[3-[[1-(3-chlorophenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C29H32ClN5O
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| Molecular Weight |
502.062
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C29H32ClN5O/c1-21(36)32-25-9-4-7-23(19-25)22-13-17-34(18-14-22)16-6-15-31-29-33-27-11-2-3-12-28(27)35(29)26-10-5-8-24(30)20-26/h2-5,7-12,19-20,22H,6,13-18H2,1H3,(H,31,33)(H,32,36)
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| InChIKey |
AKSZOVIZULWYMI-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