General Information of the Compound
| Compound ID |
CP0499919
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| Compound Name |
4-N-(3-aminophenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine
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| Structure |
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| Formula |
C16H13N5S
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| Molecular Weight |
307.382
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| Canonical SMILES |
Nc1cccc(Nc2ncnc3c4cc(N)ccc4sc23)c1
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| InChI |
InChI=1S/C16H13N5S/c17-9-2-1-3-11(6-9)21-16-15-14(19-8-20-16)12-7-10(18)4-5-13(12)22-15/h1-8H,17-18H2,(H,19,20,21)
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| InChIKey |
JOEKPJUGQPJLDY-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