General Information of the Compound
| Compound ID |
CP0505626
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| Compound Name |
5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C20H24N4O3S2
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| Molecular Weight |
432.571
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| Canonical SMILES |
COc1cccc(c1OC)-c1nc(SC)nc2sc(C(=O)NC(C)(C)C)c(N)c12
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| InChI |
InChI=1S/C20H24N4O3S2/c1-20(2,3)24-17(25)16-13(21)12-14(22-19(28-6)23-18(12)29-16)10-8-7-9-11(26-4)15(10)27-5/h7-9H,21H2,1-6H3,(H,24,25)
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| InChIKey |
LFFVURVORAGEDY-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