General Information of the Compound
| Compound ID |
CP0463104
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| Compound Name |
4-N-[(4-chlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H16ClN5
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| Molecular Weight |
325.803
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| Canonical SMILES |
CNc1nc(NCc2ccc(Cl)cc2)cc(n1)-c1ccccn1
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| InChI |
InChI=1S/C17H16ClN5/c1-19-17-22-15(14-4-2-3-9-20-14)10-16(23-17)21-11-12-5-7-13(18)8-6-12/h2-10H,11H2,1H3,(H2,19,21,22,23)
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| InChIKey |
MBSODQQDZFLCRN-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