General Information of the Compound
| Compound ID |
CP0403710
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| Compound Name |
2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C13H9Cl2N5OS
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| Molecular Weight |
354.222
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| Canonical SMILES |
NC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
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| InChI |
InChI=1S/C13H9Cl2N5OS/c14-5-2-1-4(3-6(5)15)9-7-8(16)10(11(17)21)22-12(7)20-13(18)19-9/h1-3H,16H2,(H2,17,21)(H2,18,19,20)
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| InChIKey |
NZSGGOJDVRRWTL-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