General Information of the Compound
| Compound ID |
CP0527422
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| Compound Name |
US9079902, 58
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| Structure |
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| Formula |
C18H13F3N4O3S2
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| Molecular Weight |
454.455
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| Canonical SMILES |
Cn1cc(-c2ccccc2OC(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C18H13F3N4O3S2/c1-25-9-14(13-4-2-3-5-16(13)28-18(19,20)21)12-7-6-11(8-15(12)25)30(26,27)24-17-22-10-23-29-17/h2-10H,1H3,(H,22,23,24)
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| InChIKey |
AWBYAYUKLRKMTA-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