General Information of the Compound
| Compound ID |
CP0848592
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| Compound Name |
N-(2,6-Difluoro-benzyl)-N-{2-[3-(3-hydroxy-phenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]-ethyl}-succinamic acid
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| Formula |
C26H30F2N2O4
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| Molecular Weight |
472.532
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| Canonical SMILES |
O=C(O)CCC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F
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| InChI |
InChI=1S/C26H30F2N2O4/c27-23-5-2-6-24(28)22(23)16-29(25(32)9-10-26(33)34)11-12-30-19-7-8-20(30)14-18(13-19)17-3-1-4-21(31)15-17/h1-6,15,18-20,31H,7-14,16H2,(H,33,34)/t18-,19+,20-
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| InChIKey |
WGWIMXDJLYBRFZ-ACDBMABISA-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