General Information of the Compound
| Compound ID |
CP0508817
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| Compound Name |
5-amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C16H14ClN5O2S
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| Molecular Weight |
375.841
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| Canonical SMILES |
NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(O)c3)c2c1N
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| InChI |
InChI=1S/C16H14ClN5O2S/c17-8-4-1-6(5-9(8)23)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-7-2-3-7/h1,4-5,7,23H,2-3,18H2,(H2,19,24)(H,20,21,22)
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| InChIKey |
MXIYRKZKZZAVHV-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