General Information of the Compound
| Compound ID |
CP0409019
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| Compound Name |
(1R,5R,9S)-5-(3-hydroxyphenyl)-2-[2-(4-nitrophenyl)ethyl]-2-azabicyclo[3.3.1]nonan-9-ol;oxalic acid
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| Structure |
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| Formula |
C24H28N2O8
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| Molecular Weight |
472.494
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| Canonical SMILES |
OC(=O)C(O)=O.O[C@@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccc(cc1)[N+]([O-])=O)c1cccc(O)c1
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| InChI |
InChI=1S/C22H26N2O4.C2H2O4/c25-19-4-1-3-17(15-19)22-11-2-5-20(21(22)26)23(14-12-22)13-10-16-6-8-18(9-7-16)24(27)28;3-1(4)2(5)6/h1,3-4,6-9,15,20-21,25-26H,2,5,10-14H2;(H,3,4)(H,5,6)/t20-,21-,22-;/m1./s1
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| InChIKey |
HHZWUDAEAJEIIA-AFYLVLOISA-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: PT01549, Mu-type opioid receptor