General Information of the Compound
| Compound ID |
CP0448401
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| Compound Name |
N-[4-chloro-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-2-cyanoacetamide
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| Structure |
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| Formula |
C17H9ClF3N3OS
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| Molecular Weight |
395.793
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| Canonical SMILES |
FC(F)(F)c1ccc2sc(nc2c1)-c1cc(NC(=O)CC#N)ccc1Cl
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| InChI |
InChI=1S/C17H9ClF3N3OS/c18-12-3-2-10(23-15(25)5-6-22)8-11(12)16-24-13-7-9(17(19,20)21)1-4-14(13)26-16/h1-4,7-8H,5H2,(H,23,25)
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| InChIKey |
ISAPUGQAIWDPCS-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