General Information of the Compound
| Compound ID |
CP0338887
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| Compound Name |
1-methanesulfonylmethyl-3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzimidazol-2-one
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| Structure |
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| Formula |
C28H39N3O5S
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| Molecular Weight |
529.703
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C28H39N3O5S/c1-20(2)26(36-27-18-23(35-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(28(31)32)19-37(5,33)34/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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| InChIKey |
OMKMEVVZWURZKJ-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor