General Information of the Compound
| Compound ID |
CP0546852
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| Compound Name |
5-chloro-4-N-(3,4-difluorophenyl)-2-N-(5-thiophen-3-ylpyridin-2-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H12ClF2N5S
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| Molecular Weight |
415.856
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| Canonical SMILES |
Fc1ccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)cc1F
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| InChI |
InChI=1S/C19H12ClF2N5S/c20-14-9-24-19(27-18(14)25-13-2-3-15(21)16(22)7-13)26-17-4-1-11(8-23-17)12-5-6-28-10-12/h1-10H,(H2,23,24,25,26,27)
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| InChIKey |
BTUHWQKBTYQZAJ-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