General Information of the Compound
| Compound ID |
CP0577382
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| Compound Name |
4-[5-(1-azabicyclo[2.2.2]octan-4-yl)-2-bromophenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C31H25BrF3NO2
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| Molecular Weight |
580.444
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| Canonical SMILES |
OC(=O)c1cc(-c2cc(ccc2Br)C23CCN(CC2)CC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H25BrF3NO2/c32-28-8-6-24(30-9-12-36(13-10-30)14-11-30)18-27(28)26-17-22(29(37)38)16-21-15-20(3-7-25(21)26)19-1-4-23(5-2-19)31(33,34)35/h1-8,15-18H,9-14H2,(H,37,38)
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| InChIKey |
JWVVERQXZNCUTG-UHFFFAOYSA-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