General Information of the Compound
| Compound ID |
CP0391685
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| Compound Name |
1-[1-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one
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| Structure |
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| Formula |
C26H30N2O
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| Molecular Weight |
386.539
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| Canonical SMILES |
O=C1Cc2ccccc2N1C1CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23
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| InChI |
InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24-/m0/s1
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| InChIKey |
SZKWDIATUVLAAW-CYFREDJKSA-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