General Information of the Compound
| Compound ID |
CP0154919
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| Compound Name |
N-[(3-methoxyphenyl)methyl]-5-(1H-pyrazol-5-yl)-1,3-benzothiazole-2-carboxamide
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| Structure |
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| Formula |
C19H16N4O2S
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| Molecular Weight |
364.43
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| Canonical SMILES |
COc1cccc(CNC(=O)c2nc3cc(ccc3s2)-c2cc[nH]n2)c1
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| InChI |
InChI=1S/C19H16N4O2S/c1-25-14-4-2-3-12(9-14)11-20-18(24)19-22-16-10-13(5-6-17(16)26-19)15-7-8-21-23-15/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
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| InChIKey |
ZUORJMYVIBRGPQ-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