General Information of the Compound
| Compound ID |
CP0380886
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| Compound Name |
3-ethyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3H-indol-2-one
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| Structure |
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| Formula |
C24H28N2O
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| Molecular Weight |
360.501
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| Canonical SMILES |
CCC1C(=O)N(C2CCN(C\C=C\c3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C24H28N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-13,20-21H,2,14-18H2,1H3/b11-8+
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| InChIKey |
GFNNCQAQIGNTNV-DHZHZOJOSA-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