General Information of the Compound
| Compound ID |
CP0448416
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| Compound Name |
N-[3-(1,3-benzothiazol-2-yl)-4-methylphenyl]-2-cyanoacetamide
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| Structure |
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| Formula |
C17H13N3OS
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| Molecular Weight |
307.378
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| Canonical SMILES |
Cc1ccc(NC(=O)CC#N)cc1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C17H13N3OS/c1-11-6-7-12(19-16(21)8-9-18)10-13(11)17-20-14-4-2-3-5-15(14)22-17/h2-7,10H,8H2,1H3,(H,19,21)
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| InChIKey |
OERJHXBIEUURIY-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