General Information of the Compound
| Compound ID |
CP0458026
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| Compound Name |
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]benzimidazol-2-one
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| Structure |
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| Formula |
C33H45N5O4
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| Molecular Weight |
575.754
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3noc(n3)C(C)(C)C)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C33H45N5O4/c1-22(2)28(41-29-20-25(40-7)13-12-23(29)3)16-19-36-17-14-24(15-18-36)38-27-11-9-8-10-26(27)37(32(38)39)21-30-34-31(42-35-30)33(4,5)6/h8-13,20,22,24,28H,14-19,21H2,1-7H3
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| InChIKey |
OVRPSSWJEBYDJJ-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