General Information of the Compound
| Compound ID |
CP0074011
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| Compound Name |
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C22H26N4O
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| Molecular Weight |
362.477
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| Canonical SMILES |
CC1(CCCN(C1)C(=O)NCCc1ccc2nc[nH]c2c1)c1ccccc1
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| InChI |
InChI=1S/C22H26N4O/c1-22(18-6-3-2-4-7-18)11-5-13-26(15-22)21(27)23-12-10-17-8-9-19-20(14-17)25-16-24-19/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,27)(H,24,25)
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| InChIKey |
GMTQAOXNCHJFPF-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