General Information of the Compound
| Compound ID |
CP0418919
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| Compound Name |
5-chloro-2-N-(5-thiomorpholin-4-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C20H18ClF3N6S
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| Molecular Weight |
466.92
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCSCC3)ncc2Cl)c1
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| InChI |
InChI=1S/C20H18ClF3N6S/c21-16-12-26-19(28-17-5-4-15(11-25-17)30-6-8-31-9-7-30)29-18(16)27-14-3-1-2-13(10-14)20(22,23)24/h1-5,10-12H,6-9H2,(H2,25,26,27,28,29)
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| InChIKey |
LZJJKANATVKZKL-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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