General Information of the Compound
| Compound ID |
CP0386379
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| Compound Name |
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C19H20N6O
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| Molecular Weight |
348.41
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| Canonical SMILES |
CNc1nc(NCc2ccc(NC(C)=O)cc2)cc(n1)-c1ccccn1
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| InChI |
InChI=1S/C19H20N6O/c1-13(26)23-15-8-6-14(7-9-15)12-22-18-11-17(24-19(20-2)25-18)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,20,22,24,25)
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| InChIKey |
GORJAELYTTWWQJ-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: PT00268, G protein-coupled receptor 39-1b
Protein ID: PT03123, G-protein coupled receptor 39
Protein ID: PT05121, G-protein coupled receptor 39