General Information of the Compound
| Compound ID |
CP0537416
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| Compound Name |
US9434711, 387
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| Structure |
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| Formula |
C25H16F4N2O3S2
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| Molecular Weight |
532.54
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| Canonical SMILES |
CC(=O)c1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H16F4N2O3S2/c1-15(32)23-19-4-2-3-5-22(19)35-24(23)31(36(33,34)18-9-6-16(13-30)7-10-18)14-17-8-11-21(26)20(12-17)25(27,28)29/h2-12H,14H2,1H3
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| InChIKey |
KZUDEPUZYNSSMQ-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