General Information of the Compound
| Compound ID |
CP0952221
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| Compound Name |
(R)-4-(4-(2,2-difluoro-1-hydroxyethyl)phenyl)-3-fluoro-7-(4-(trifluoromethyl)phenyl)-2-naphthoic acid
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| Structure |
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| Formula |
C26H16F6O3
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| Molecular Weight |
490.399
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| Canonical SMILES |
O=C(O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c(-c2ccc([C@@H](O)C(F)F)cc2)c1F
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| InChI |
InChI=1S/C26H16F6O3/c27-22-20(25(34)35)12-17-11-16(13-5-8-18(9-6-13)26(30,31)32)7-10-19(17)21(22)14-1-3-15(4-2-14)23(33)24(28)29/h1-12,23-24,33H,(H,34,35)/t23-/m1/s1
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| InChIKey |
LXAJFAJKTJQVQD-HSZRJFAPSA-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