General Information of the Compound
| Compound ID |
CP0411661
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| Compound Name |
1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one
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| Structure |
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| Formula |
C30H34N2O
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| Molecular Weight |
438.615
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| Canonical SMILES |
CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C30H34N2O/c1-2-26-28-15-9-10-16-29(28)32(30(26)33)25-17-20-31(21-18-25)22-19-27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25-27H,2,17-22H2,1H3
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| InChIKey |
HXLPOWDEWXIQLU-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