General Information of the Compound
| Compound ID |
CP0495269
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| Compound Name |
N-benzhydryl-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 |
C30H34N2O2
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| Molecular Weight |
454.614
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| Canonical SMILES |
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H34N2O2/c1-21-27-19-24-13-14-25(33)20-26(24)30(21,2)16-18-32(27)17-15-28(34)31-29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,20-21,27,29,33H,15-19H2,1-2H3,(H,31,34)/t21-,27+,30+/m0/s1
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| InChIKey |
KITQWBIFOIKVCM-FXBCZQQTSA-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