General Information of the Compound
| Compound ID |
CP0321473
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| Compound Name |
4-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C31H26F3NO2
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| Molecular Weight |
501.548
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C23CCN(CC2)CC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H26F3NO2/c32-31(33,34)26-8-1-20(2-9-26)22-5-10-27-23(17-22)18-24(29(36)37)19-28(27)21-3-6-25(7-4-21)30-11-14-35(15-12-30)16-13-30/h1-10,17-19H,11-16H2,(H,36,37)
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| InChIKey |
SSHPNRDLABGEOD-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