General Information of the Compound
| Compound ID |
CP0388625
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| Compound Name |
2-Cyano-4-(2-methylbenzo[d]thiazol-5-yl)phenyl trifluoromethanesulfonate
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| Structure |
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| Formula |
C16H9F3N2O3S2
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| Molecular Weight |
398.387
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| Canonical SMILES |
Cc1nc2cc(ccc2s1)-c1ccc(OS(=O)(=O)C(F)(F)F)c(c1)C#N
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| InChI |
InChI=1S/C16H9F3N2O3S2/c1-9-21-13-7-11(3-5-15(13)25-9)10-2-4-14(12(6-10)8-20)24-26(22,23)16(17,18)19/h2-7H,1H3
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| InChIKey |
GXRHWBFQOVAGDT-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