General Information of the Compound
| Compound ID |
CP0541471
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| Compound Name |
US8754233, N-{2-[2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonylamino]-ethyl}-acetamide
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| Structure |
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| Formula |
C15H18N6O3S2
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| Molecular Weight |
394.482
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| Canonical SMILES |
CC(=O)NCCNS(=O)(=O)c1ccc2nc(sc2c1)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C15H18N6O3S2/c1-8-13(14(16)21-20-8)15-19-11-4-3-10(7-12(11)25-15)26(23,24)18-6-5-17-9(2)22/h3-4,7,18H,5-6H2,1-2H3,(H,17,22)(H3,16,20,21)
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| InChIKey |
YBHBLONYRPQEKN-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