General Information of the Compound
| Compound ID |
CP0515448
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| Compound Name |
US9434711, 590
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| Structure |
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| Formula |
C19H15F4NO4S2
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| Molecular Weight |
461.458
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC(F)(F)F)S(=O)(=O)c1ccc(cc1F)C(O)=O
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| InChI |
InChI=1S/C19H15F4NO4S2/c1-11-13-4-2-3-5-15(13)29-17(11)24(9-8-19(21,22)23)30(27,28)16-7-6-12(18(25)26)10-14(16)20/h2-7,10H,8-9H2,1H3,(H,25,26)
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| InChIKey |
DKUYPACQQRLDFB-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