General Information of the Compound
| Compound ID |
CP0867055
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| Compound Name |
2-hydroxy-N-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]-ethyl}-N-(4-trifluoromethylbenzyl)acetamide
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| Formula |
C25H29F3N2O3
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| Molecular Weight |
462.512
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| Canonical SMILES |
O=C(CO)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H29F3N2O3/c26-25(27,28)20-6-4-17(5-7-20)15-29(24(33)16-31)10-11-30-21-8-9-22(30)13-19(12-21)18-2-1-3-23(32)14-18/h1-7,14,19,21-22,31-32H,8-13,15-16H2/t19-,21+,22-
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| InChIKey |
WUEFGXGDVMOCPB-QQFNCUIESA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor