General Information of the Compound
| Compound ID |
CP0380884
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| Compound Name |
3-ethyl-1-[1-[4-(4-phenylphenyl)butyl]piperidin-4-yl]-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(CCCCc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C31H36N2O/c1-2-28-29-13-6-7-14-30(29)33(31(28)34)27-19-22-32(23-20-27)21-9-8-10-24-15-17-26(18-16-24)25-11-4-3-5-12-25/h3-7,11-18,27-28H,2,8-10,19-23H2,1H3
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| InChIKey |
ATGGZTWGPMWHPU-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