General Information of the Compound
| Compound ID |
CP0391686
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| Compound Name |
3-ethyl-1-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-3H-indol-2-one
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| Structure |
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| Formula |
C24H27N3O
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| Molecular Weight |
373.5
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| Canonical SMILES |
CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc12
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| InChI |
InChI=1S/C24H27N3O/c1-2-19-21-7-3-4-9-23(21)27(24(19)28)18-11-14-26(15-12-18)16-17-6-5-8-22-20(17)10-13-25-22/h3-10,13,18-19,25H,2,11-12,14-16H2,1H3
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| InChIKey |
IHHKRBWQSBPVHH-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