General Information of the Compound
| Compound ID |
CP0566656
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| Compound Name |
US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2-hydroxy-ethyl)-amide
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| Structure |
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| Formula |
C13H15N5O3S2
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| Molecular Weight |
353.429
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCCO
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| InChI |
InChI=1S/C13H15N5O3S2/c1-7-11(12(14)18-17-7)13-16-9-3-2-8(6-10(9)22-13)23(20,21)15-4-5-19/h2-3,6,15,19H,4-5H2,1H3,(H3,14,17,18)
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| InChIKey |
XWHGEQWOGJBXQD-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