General Information of the Compound
| Compound ID |
CP0538638
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| Compound Name |
US8754233, 2-(5-Amino-3-pyridin-4-yl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acidamide
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| Structure |
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| Formula |
C15H12N6O2S2
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| Molecular Weight |
372.435
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| Canonical SMILES |
Nc1[nH]nc(c1-c1nc2ccc(cc2s1)S(N)(=O)=O)-c1ccncc1
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| InChI |
InChI=1S/C15H12N6O2S2/c16-14-12(13(20-21-14)8-3-5-18-6-4-8)15-19-10-2-1-9(25(17,22)23)7-11(10)24-15/h1-7H,(H3,16,20,21)(H2,17,22,23)
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| InChIKey |
ZGXDTMKHHQRSEX-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