General Information of the Compound
| Compound ID |
CP0519652
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| Compound Name |
N-cyclopropyl-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C17H16F3N3O3
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| Molecular Weight |
367.327
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(ncc1C(=O)NC1CC1)C(F)(F)F
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| InChI |
InChI=1S/C17H16F3N3O3/c1-25-12-6-3-9(7-13(12)26-2)14-11(15(24)22-10-4-5-10)8-21-16(23-14)17(18,19)20/h3,6-8,10H,4-5H2,1-2H3,(H,22,24)
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| InChIKey |
BNRMMUDRCWPRJF-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