General Information of the Compound
| Compound ID |
CP0481876
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| Compound Name |
5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C17H18ClN5O3S
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| Molecular Weight |
407.883
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| Canonical SMILES |
CC(C)(CO)Nc1nc(-c2cc(O)cc(Cl)c2)c2c(N)c(sc2n1)C(N)=O
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| InChI |
InChI=1S/C17H18ClN5O3S/c1-17(2,6-24)23-16-21-12(7-3-8(18)5-9(25)4-7)10-11(19)13(14(20)26)27-15(10)22-16/h3-5,24-25H,6,19H2,1-2H3,(H2,20,26)(H,21,22,23)
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| InChIKey |
IEIWULTUQINCEL-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