General Information of the Compound
| Compound ID |
CP0491996
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| Compound Name |
1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-dimethylamino-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C29H39ClN4O2
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| Molecular Weight |
511.11
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| Canonical SMILES |
CN(C)C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)C1(CCCCC1)Oc1cc(C)ccc1Cl
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| InChI |
InChI=1S/C29H39ClN4O2/c1-21-11-12-23(30)26(19-21)36-29(15-7-4-8-16-29)27(32(2)3)20-33-17-13-22(14-18-33)34-25-10-6-5-9-24(25)31-28(34)35/h5-6,9-12,19,22,27H,4,7-8,13-18,20H2,1-3H3,(H,31,35)
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| InChIKey |
LQXZWLDWDGUVKO-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