General Information of the Compound
| Compound ID |
CP0554390
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| Compound Name |
US9434711, 181
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| Structure |
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| Formula |
C23H16ClF4NO3S2
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| Molecular Weight |
529.964
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C23H16ClF4NO3S2/c1-32-15-7-9-16(10-8-15)34(30,31)29(22-21(24)17-4-2-3-5-20(17)33-22)13-14-6-11-19(25)18(12-14)23(26,27)28/h2-12H,13H2,1H3
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| InChIKey |
MOELNIZXDIWMHB-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