General Information of the Compound
| Compound ID |
CP0579553
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| Compound Name |
2-(1,3-dioxoisoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
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| Structure |
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| Formula |
C23H12F3N3O3S
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| Molecular Weight |
467.428
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)c2ccc3nc(sc3c2)N2C(=O)c3ccccc3C2=O)c1
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| InChI |
InChI=1S/C23H12F3N3O3S/c24-23(25,26)13-4-3-5-14(11-13)27-19(30)12-8-9-17-18(10-12)33-22(28-17)29-20(31)15-6-1-2-7-16(15)21(29)32/h1-11H,(H,27,30)
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| InChIKey |
QRZQNKZFZYXWAP-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