General Information of the Compound
| Compound ID |
CP0493402
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| Compound Name |
US9434711, 545
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| Structure |
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| Formula |
C21H20F3NO4S2
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| Molecular Weight |
471.522
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H20F3NO4S2/c1-14-17-6-2-3-7-18(17)30-19(14)25(13-5-4-12-21(22,23)24)31(28,29)16-10-8-15(9-11-16)20(26)27/h2-3,6-11H,4-5,12-13H2,1H3,(H,26,27)
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| InChIKey |
YKRPKMOGVNCYSZ-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