General Information of the Compound
| Compound ID |
CP0426207
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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]-1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
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| Structure |
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| Formula |
C32H36N2O2
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| Molecular Weight |
480.652
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| Canonical SMILES |
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C32H36N2O2/c1-22-29-20-25-12-13-26(35)21-28(25)32(22,2)16-19-33(29)17-15-30(36)34-18-14-23-8-6-7-11-27(23)31(34)24-9-4-3-5-10-24/h3-13,21-22,29,31,35H,14-20H2,1-2H3/t22-,29+,31-,32+/m0/s1
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| InChIKey |
ONHACLFIIHPLGZ-JRCNLPJVSA-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