General Information of the Compound
| Compound ID |
CP0511035
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| Compound Name |
(2R)-1-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl)-6-fluoro-1H-indol-1-yl)-3-(dimethylamino)propan-2-ol
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| Structure |
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| Formula |
C30H34FN3O
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| Molecular Weight |
471.62
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| Canonical SMILES |
CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
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| InChI |
InChI=1S/C30H34FN3O/c1-32(2)17-24(35)18-34-19-27(25-10-9-23(31)16-29(25)34)20-11-13-33(14-12-20)28-15-22-7-3-5-21-6-4-8-26(28)30(21)22/h3-10,16,19-20,24,28,35H,11-15,17-18H2,1-2H3/t24-,28?/m1/s1
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| InChIKey |
HJYXTUROPMWWHU-RIBGEGAISA-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