General Information of the Compound
| Compound ID |
CP0460973
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| Compound Name |
N-(2,2-diphenylethyl)-3-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]propanamide
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| Structure |
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| Formula |
C31H36N2O2
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| Molecular Weight |
468.641
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| Canonical SMILES |
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H36N2O2/c1-22-29-19-25-13-14-26(34)20-28(25)31(22,2)16-18-33(29)17-15-30(35)32-21-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,20,22,27,29,34H,15-19,21H2,1-2H3,(H,32,35)/t22-,29+,31+/m0/s1
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| InChIKey |
LUJZXARUKQUEFU-JOHVVKFNSA-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: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor