General Information of the Compound
| Compound ID |
CP0446495
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| Compound Name |
1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol
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| Structure |
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| Formula |
C25H25N3O
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| Molecular Weight |
383.495
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| Canonical SMILES |
Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
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| InChI |
InChI=1S/C25H25N3O/c1-27-14-21(19-9-4-11-26-25(19)27)18-10-12-28(15-23(18)29)22-13-17-7-2-5-16-6-3-8-20(22)24(16)17/h2-9,11,14,18,22-23,29H,10,12-13,15H2,1H3
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| InChIKey |
VOHINDSZXQXORW-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor