General Information of the Compound
| Compound ID |
CP0561978
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| Compound Name |
US9434711, 704
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| Structure |
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| Formula |
C19H14F7NO3S2
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| Molecular Weight |
501.445
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| Canonical SMILES |
OCc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)CC(F)(F)F
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| InChI |
InChI=1S/C19H14F7NO3S2/c20-15-6-5-11(7-14(15)19(24,25)26)8-27(32(29,30)10-18(21,22)23)17-13(9-28)12-3-1-2-4-16(12)31-17/h1-7,28H,8-10H2
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| InChIKey |
ZHBNYSCUGOGUCN-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