General Information of the Compound
| Compound ID |
CP0375095
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| Compound Name |
1-(1-Dicyclohexylmethyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
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| Structure |
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| Formula |
C26H38N2O
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| Molecular Weight |
394.603
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| Canonical SMILES |
O=C1Cc2ccccc2N1C1CCN(CC1)C(C1CCCCC1)C1CCCCC1
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| InChI |
InChI=1S/C26H38N2O/c29-25-19-22-13-7-8-14-24(22)28(25)23-15-17-27(18-16-23)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-14,20-21,23,26H,1-6,9-12,15-19H2
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| InChIKey |
PXFVUZDVIRDKOZ-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