General Information of the Compound
| Compound ID |
CP0446331
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| Compound Name |
3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C24H23N3
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| Molecular Weight |
353.469
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| Canonical SMILES |
C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
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| InChI |
InChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
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| InChIKey |
AWKSCYYXWJOSAA-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