General Information of the Compound
| Compound ID |
CP0493201
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| Compound Name |
US9434711, 772
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| Structure |
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| Formula |
C25H17F3N2O4S2
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| Molecular Weight |
530.549
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| Canonical SMILES |
CC(=O)c1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H17F3N2O4S2/c1-16(31)23-21-4-2-3-5-22(21)35-24(23)30(36(32,33)20-12-8-17(14-29)9-13-20)15-18-6-10-19(11-7-18)34-25(26,27)28/h2-13H,15H2,1H3
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| InChIKey |
OOKAFKKNSTTYFH-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