General Information of the Compound
| Compound ID |
CP0518524
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| Compound Name |
US9434711, 801
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| Structure |
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| Formula |
C25H18F3N3O5S2
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| Molecular Weight |
561.563
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)-c1noc(=O)[nH]1
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| InChI |
InChI=1S/C25H18F3N3O5S2/c1-15-20-4-2-3-5-21(20)37-23(15)31(14-16-6-10-18(11-7-16)35-25(26,27)28)38(33,34)19-12-8-17(9-13-19)22-29-24(32)36-30-22/h2-13H,14H2,1H3,(H,29,30,32)
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| InChIKey |
XIVYPQFAJNVEQO-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