General Information of the Compound
| Compound ID |
CP0495314
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| Compound Name |
US9434711, 33
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| Structure |
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| Formula |
C20H14F2N2O2S2
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| Molecular Weight |
416.474
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| Canonical SMILES |
Fc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2cccnc2)cc1F
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| InChI |
InChI=1S/C20H14F2N2O2S2/c21-17-8-7-14(10-18(17)22)13-24(28(25,26)16-5-3-9-23-12-16)20-11-15-4-1-2-6-19(15)27-20/h1-12H,13H2
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| InChIKey |
BLOZQVRRYXVGLD-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