General Information of the Compound
| Compound ID |
CP0403744
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| Compound Name |
3-ethyl-1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one
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| Structure |
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| Formula |
C25H30N2O
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| Molecular Weight |
374.528
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| Canonical SMILES |
CCC1C(=O)N(C2CCN(CC2)C2CCc3ccccc3C2)c2ccccc12
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| InChI |
InChI=1S/C25H30N2O/c1-2-22-23-9-5-6-10-24(23)27(25(22)28)20-13-15-26(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h3-10,20-22H,2,11-17H2,1H3
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| InChIKey |
PEUSKIKGDTWFQX-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