General Information of the Compound
| Compound ID |
CP0558185
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| Compound Name |
US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2,6-dimethyl-pyrimidin-4-yl)-amide
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| Structure |
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| Formula |
C17H17N7O2S2
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| Molecular Weight |
415.504
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)Nc1cc(C)nc(C)n1
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| InChI |
InChI=1S/C17H17N7O2S2/c1-8-6-14(20-10(3)19-8)24-28(25,26)11-4-5-12-13(7-11)27-17(21-12)15-9(2)22-23-16(15)18/h4-7H,1-3H3,(H3,18,22,23)(H,19,20,24)
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| InChIKey |
NXOKMLMOERIJIN-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