General Information of the Compound
| Compound ID |
CP0535577
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| Compound Name |
3-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-naphthalen-1-ylpropanamide
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| Structure |
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/m0/s1
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| InChIKey |
ZBEAXZAFQYRZBS-YJIIWGRFSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor