General Information of the Compound
| Compound ID |
CP0145420
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| Compound Name |
1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-piperidin-4-yl}-3-(2-oxo-butyl)-1,3-dihydro-benzimidazol-2-one
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| Structure |
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| Formula |
C30H41N3O4
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| Molecular Weight |
507.675
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| Canonical SMILES |
CCC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O
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| InChI |
InChI=1S/C30H41N3O4/c1-6-24(34)20-32-26-9-7-8-10-27(26)33(30(32)35)23-13-16-31(17-14-23)18-15-28(21(2)3)37-29-19-25(36-5)12-11-22(29)4/h7-12,19,21,23,28H,6,13-18,20H2,1-5H3
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| InChIKey |
RYICDTOOZAJHGG-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