General Information of the Compound
| Compound ID |
CP0221377
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| Compound Name |
2-[3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]ethyl acetate
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| Structure |
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| Formula |
C30H41N3O5
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| Molecular Weight |
523.674
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCOC(C)=O)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C30H41N3O5/c1-21(2)28(38-29-20-25(36-5)11-10-22(29)3)14-17-31-15-12-24(13-16-31)33-27-9-7-6-8-26(27)32(30(33)35)18-19-37-23(4)34/h6-11,20-21,24,28H,12-19H2,1-5H3
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| InChIKey |
LSLIXRZGWKCGHE-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