General Information of the Compound
| Compound ID |
CP0449143
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| Compound Name |
1-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-one
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| Structure |
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| Formula |
C31H40N4O3S
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| Molecular Weight |
548.753
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3csc(C)n3)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C31H40N4O3S/c1-21(2)29(38-30-18-26(37-5)11-10-22(30)3)14-17-33-15-12-25(13-16-33)35-28-9-7-6-8-27(28)34(31(35)36)19-24-20-39-23(4)32-24/h6-11,18,20-21,25,29H,12-17,19H2,1-5H3
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| InChIKey |
SFTBDBTVPUYAQX-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