General Information of the Compound
| Compound ID |
CP0481891
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C17H15ClN4
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| Molecular Weight |
310.788
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| Canonical SMILES |
Cc1nc(NCc2ccc(Cl)cc2)cc(n1)-c1ccccn1
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| InChI |
InChI=1S/C17H15ClN4/c1-12-21-16(15-4-2-3-9-19-15)10-17(22-12)20-11-13-5-7-14(18)8-6-13/h2-10H,11H2,1H3,(H,20,21,22)
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| InChIKey |
GRILMLILBQPHHQ-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