General Information of the Compound
| Compound ID |
CP0549369
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| Compound Name |
US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid [2-(4-amino-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C19H20N6O2S2
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| Molecular Weight |
428.543
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCCc1ccc(N)cc1
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| InChI |
InChI=1S/C19H20N6O2S2/c1-11-17(18(21)25-24-11)19-23-15-7-6-14(10-16(15)28-19)29(26,27)22-9-8-12-2-4-13(20)5-3-12/h2-7,10,22H,8-9,20H2,1H3,(H3,21,24,25)
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| InChIKey |
UBMKFDLHHZYUII-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