General Information of the Compound
| Compound ID |
CP0428843
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| Compound Name |
US9434711, 794
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| Structure |
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| Formula |
C21H20F3NO5S2
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| Molecular Weight |
487.521
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| Canonical SMILES |
COC(=O)CCS(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C21H20F3NO5S2/c1-14-17-5-3-4-6-18(17)31-20(14)25(32(27,28)12-11-19(26)29-2)13-15-7-9-16(10-8-15)30-21(22,23)24/h3-10H,11-13H2,1-2H3
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| InChIKey |
ZFCAMQQSJHTLEL-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