General Information of the Compound
| Compound ID |
CP0558563
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| Compound Name |
6-oxo-2-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C16H12F3N5O3
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| Molecular Weight |
379.298
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| Canonical SMILES |
Oc1nc(ncc1C(=O)NCc1ccc(OC(F)(F)F)cc1)-n1cccn1
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| InChI |
InChI=1S/C16H12F3N5O3/c17-16(18,19)27-11-4-2-10(3-5-11)8-20-13(25)12-9-21-15(23-14(12)26)24-7-1-6-22-24/h1-7,9H,8H2,(H,20,25)(H,21,23,26)
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| InChIKey |
RCVZHXPDLGLVEM-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