General Information of the Compound
| Compound ID |
CP0557673
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| Compound Name |
5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C15H13Cl2N5O2S
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| Molecular Weight |
398.275
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| Canonical SMILES |
NC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
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| InChI |
InChI=1S/C15H13Cl2N5O2S/c16-7-2-1-6(5-8(7)17)11-9-10(18)12(13(19)24)25-14(9)22-15(21-11)20-3-4-23/h1-2,5,23H,3-4,18H2,(H2,19,24)(H,20,21,22)
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| InChIKey |
BCALWAGTQCFXQT-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