General Information of the Compound
| Compound ID |
CP0538615
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| Compound Name |
US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acidbenzylamide
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| Structure |
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| Formula |
C18H17N5O2S2
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| Molecular Weight |
399.501
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCc1ccccc1
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| InChI |
InChI=1S/C18H17N5O2S2/c1-11-16(17(19)23-22-11)18-21-14-8-7-13(9-15(14)26-18)27(24,25)20-10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H3,19,22,23)
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| InChIKey |
ZWAUWWBFABDNNP-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