General Information of the Compound
| Compound ID |
CP0569747
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| Compound Name |
5-(1-methylpyrazol-4-yl)-2-N-(5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C24H18F3N7S
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| Molecular Weight |
493.518
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H18F3N7S/c1-34-13-17(11-30-34)20-12-29-23(32-21-6-5-15(10-28-21)16-7-8-35-14-16)33-22(20)31-19-4-2-3-18(9-19)24(25,26)27/h2-14H,1H3,(H2,28,29,31,32,33)
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| InChIKey |
RWHYKFUMXGXUGY-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