General Information of the Compound
| Compound ID |
CP0423363
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| Compound Name |
1-[4-[6-[[5-chloro-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]pyridin-3-yl]piperazin-1-yl]ethanone
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| Formula |
C22H21ClF3N7O
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| Molecular Weight |
491.905
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
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| InChI |
InChI=1S/C22H21ClF3N7O/c1-14(34)32-7-9-33(10-8-32)17-5-6-19(27-12-17)30-21-28-13-18(23)20(31-21)29-16-4-2-3-15(11-16)22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H2,27,28,29,30,31)
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| InChIKey |
YLTAJZAGZXAKKF-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
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LO
TS
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