General Information of the Compound
| Compound ID |
CP0497597
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| Compound Name |
3-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)pyrimidin-5-yl)propanoic acid
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| Structure |
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| Formula |
C26H19F3N2O2
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| Molecular Weight |
448.444
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| Canonical SMILES |
OC(=O)CCc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H19F3N2O2/c27-20-9-4-16(5-10-20)24(17-6-11-21(28)12-7-17)26-30-15-19(8-13-23(32)33)25(31-26)18-2-1-3-22(29)14-18/h1-7,9-12,14-15,24H,8,13H2,(H,32,33)
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| InChIKey |
CREGDXWCPNEVCV-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