General Information of the Compound
| Compound ID |
CP0377250
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| Compound Name |
1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
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| InChI |
InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)
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| InChIKey |
ICPHYGRATJRGHH-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor