General Information of the Compound
| Compound ID |
CP0392313
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| Compound Name |
1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-imidazol-1-yl-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C30H36ClN5O2
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| Molecular Weight |
534.104
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| Canonical SMILES |
Cc1ccc(Cl)c(OC2(CCCCC2)C(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)n2ccnc2)c1
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| InChI |
InChI=1S/C30H36ClN5O2/c1-22-9-10-24(31)27(19-22)38-30(13-5-2-6-14-30)28(35-18-15-32-21-35)20-34-16-11-23(12-17-34)36-26-8-4-3-7-25(26)33-29(36)37/h3-4,7-10,15,18-19,21,23,28H,2,5-6,11-14,16-17,20H2,1H3,(H,33,37)
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| InChIKey |
AFEMFTNPESLYFE-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