General Information of the Compound
| Compound ID |
CP0418268
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| Compound Name |
4-N-[(4-chlorophenyl)methyl]-6-pyridin-2-yl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H15ClF3N5
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| Molecular Weight |
393.8
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| Canonical SMILES |
FC(F)(F)CNc1nc(NCc2ccc(Cl)cc2)cc(n1)-c1ccccn1
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| InChI |
InChI=1S/C18H15ClF3N5/c19-13-6-4-12(5-7-13)10-24-16-9-15(14-3-1-2-8-23-14)26-17(27-16)25-11-18(20,21)22/h1-9H,10-11H2,(H2,24,25,26,27)
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| InChIKey |
XBRWTUAIJNEHNK-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: PT05121, G-protein coupled receptor 39
Protein ID: PT03123, G-protein coupled receptor 39