General Information of the Compound
| Compound ID |
CP0547945
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| Compound Name |
US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (3-dimethylamino-propyl)-amide
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| Structure |
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| Formula |
C16H22N6O2S2
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| Molecular Weight |
394.526
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| Canonical SMILES |
CN(C)CCCNS(=O)(=O)c1ccc2nc(sc2c1)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C16H22N6O2S2/c1-10-14(15(17)21-20-10)16-19-12-6-5-11(9-13(12)25-16)26(23,24)18-7-4-8-22(2)3/h5-6,9,18H,4,7-8H2,1-3H3,(H3,17,20,21)
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| InChIKey |
GJJRCQFFNRXLJZ-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