General Information of the Compound
| Compound ID |
CP0951312
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| Compound Name |
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid(acetic hydrazido)amide
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| Structure |
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| Formula |
C13H14N6O3S2
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| Molecular Weight |
366.428
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| Canonical SMILES |
CC(=O)NNS(=O)(=O)c1ccc2nc(-c3c(C)n[nH]c3N)sc2c1
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| InChI |
InChI=1S/C13H14N6O3S2/c1-6-11(12(14)18-16-6)13-15-9-4-3-8(5-10(9)23-13)24(21,22)19-17-7(2)20/h3-5,19H,1-2H3,(H,17,20)(H3,14,16,18)
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| InChIKey |
NZMNHEDTRJETPO-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