General Information of the Compound
| Compound ID |
CP0461168
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| Compound Name |
1-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-3-(pyrazol-1-ylmethyl)benzimidazol-2-one
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| Structure |
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| Formula |
C30H39N5O3
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| Molecular Weight |
517.674
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3cccn3)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C30H39N5O3/c1-22(2)28(38-29-20-25(37-4)11-10-23(29)3)14-19-32-17-12-24(13-18-32)35-27-9-6-5-8-26(27)34(30(35)36)21-33-16-7-15-31-33/h5-11,15-16,20,22,24,28H,12-14,17-19,21H2,1-4H3
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| InChIKey |
KUIPORRXSZLLLT-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