General Information of the Compound
| Compound ID |
CP0435385
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| Compound Name |
1-[1-(4,4-diphenylbutan-2-yl)piperidin-4-yl]-3-ethyl-3H-indol-2-one
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| Structure |
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| Formula |
C31H36N2O
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| Molecular Weight |
452.642
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| Canonical SMILES |
CCC1C(=O)N(C2CCN(CC2)C(C)CC(c2ccccc2)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C31H36N2O/c1-3-27-28-16-10-11-17-30(28)33(31(27)34)26-18-20-32(21-19-26)23(2)22-29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,23,26-27,29H,3,18-22H2,1-2H3
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| InChIKey |
GUACBINATKIUOJ-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor