General Information of the Compound
| Compound ID |
CP0491851
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| Compound Name |
1-{1-[3-(2-Chloro-5-methyl-phenoxy)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C22H26ClN3O2
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| Molecular Weight |
399.922
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| Canonical SMILES |
Cc1ccc(Cl)c(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
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| InChI |
InChI=1S/C22H26ClN3O2/c1-16-7-8-18(23)21(15-16)28-14-4-11-25-12-9-17(10-13-25)26-20-6-3-2-5-19(20)24-22(26)27/h2-3,5-8,15,17H,4,9-14H2,1H3,(H,24,27)
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| InChIKey |
RLXSIHFFYALFRG-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor