General Information of the Compound
| Compound ID |
CP0444643
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| Compound Name |
5-methyl-2-N-(5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C21H16F3N5S
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| Molecular Weight |
427.455
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| Canonical SMILES |
Cc1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N5S/c1-13-10-26-20(28-18-6-5-14(11-25-18)15-7-8-30-12-15)29-19(13)27-17-4-2-3-16(9-17)21(22,23)24/h2-12H,1H3,(H2,25,26,27,28,29)
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| InChIKey |
OFOHMVCGHGFMDH-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
Protein ID: PT02790, Dipeptidyl peptidase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000159 | L-02 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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