General Information of the Compound
| Compound ID |
CP0573512
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| Compound Name |
US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2-dimethylamino-ethyl)-amide
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| Structure |
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| Formula |
C15H20N6O2S2
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| Molecular Weight |
380.499
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| Canonical SMILES |
CN(C)CCNS(=O)(=O)c1ccc2nc(sc2c1)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C15H20N6O2S2/c1-9-13(14(16)20-19-9)15-18-11-5-4-10(8-12(11)24-15)25(22,23)17-6-7-21(2)3/h4-5,8,17H,6-7H2,1-3H3,(H3,16,19,20)
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| InChIKey |
RTBJYXWQQOGKED-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