General Information of the Compound
| Compound ID |
CP0537414
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| Compound Name |
US9434711, 384
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| Structure |
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| Formula |
C20H17F3N2O4S2
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| Molecular Weight |
470.494
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCC(F)(F)F)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C20H17F3N2O4S2/c1-12-14-5-2-3-6-17(14)30-18(12)25(10-4-9-20(21,22)23)31(27,28)13-7-8-15-16(11-13)29-19(26)24-15/h2-3,5-8,11H,4,9-10H2,1H3,(H,24,26)
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| InChIKey |
ZFQJKLMSLDFAEE-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