General Information of the Compound
| Compound ID |
CP0420568
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| Compound Name |
4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C29H22F3NO2
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| Molecular Weight |
473.494
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2=CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H22F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-11,15-17,33H,12-14H2,(H,34,35)
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| InChIKey |
ZJLQYQGLIFURMZ-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