General Information of the Compound
| Compound ID |
CP0548497
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| Compound Name |
5-chloro-2-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C21H16ClF3N6O
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| Molecular Weight |
460.847
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
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| InChI |
InChI=1S/C21H16ClF3N6O/c1-11-18(12(2)32-31-11)13-6-7-17(26-9-13)29-20-27-10-16(22)19(30-20)28-15-5-3-4-14(8-15)21(23,24)25/h3-10H,1-2H3,(H2,26,27,28,29,30)
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| InChIKey |
UHQMOPPHCWDJBV-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