General Information of the Compound
| Compound ID |
CP0480521
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| Compound Name |
2-Chloro-4-phenyl-pyrimidine-5-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C19H10ClF6N3O
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| Molecular Weight |
445.75
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2-c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H10ClF6N3O/c20-17-27-9-14(15(29-17)10-4-2-1-3-5-10)16(30)28-13-7-11(18(21,22)23)6-12(8-13)19(24,25)26/h1-9H,(H,28,30)
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| InChIKey |
BFANKIPRJRXYSS-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