General Information of the Compound
| Compound ID |
CP0550851
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| Compound Name |
US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2-thiophen-2-yl-ethyl)-amide
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| Structure |
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| Formula |
C17H17N5O2S3
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| Molecular Weight |
419.557
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(=O)(=O)NCCc1cccs1
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| InChI |
InChI=1S/C17H17N5O2S3/c1-10-15(16(18)22-21-10)17-20-13-5-4-12(9-14(13)26-17)27(23,24)19-7-6-11-3-2-8-25-11/h2-5,8-9,19H,6-7H2,1H3,(H3,18,21,22)
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| InChIKey |
IHWLUXQMMBSSGE-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