General Information of the Compound
| Compound ID |
CP0495370
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| Compound Name |
US9434711, 774
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| Structure |
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| Formula |
C24H17F4NO5S2
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| Molecular Weight |
539.528
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(O)=O)c(F)c1
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| InChI |
InChI=1S/C24H17F4NO5S2/c1-14-18-4-2-3-5-21(18)35-22(14)29(13-15-6-8-16(9-7-15)34-24(26,27)28)36(32,33)17-10-11-19(23(30)31)20(25)12-17/h2-12H,13H2,1H3,(H,30,31)
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| InChIKey |
OJAMJTGMWPOFAY-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