General Information of the Compound
| Compound ID |
CP0372826
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| Compound Name |
5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxypyridin-3-yl)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C17H20N6O3S
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| Molecular Weight |
388.453
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| Canonical SMILES |
COc1cncc(c1)-c1nc(NC(C)(C)CO)nc2sc(C(N)=O)c(N)c12
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| InChI |
InChI=1S/C17H20N6O3S/c1-17(2,7-24)23-16-21-12(8-4-9(26-3)6-20-5-8)10-11(18)13(14(19)25)27-15(10)22-16/h4-6,24H,7,18H2,1-3H3,(H2,19,25)(H,21,22,23)
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| InChIKey |
DFXKHCHQBQBUFT-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