General Information of the Compound
| Compound ID |
CP0463753
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| Compound Name |
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
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| Formula |
C22H32N2O
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| Molecular Weight |
340.511
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| Canonical SMILES |
CC(C)[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12
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| InChI |
InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3/t17-,19-
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| InChIKey |
KZQZXGOXGSLNTB-UAPYVXQJSA-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