General Information of the Compound
| Compound ID |
CP0529416
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| Compound Name |
US9434711, 18
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| Structure |
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| Formula |
C24H17F2NO2S3
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| Molecular Weight |
485.602
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C24H17F2NO2S3/c1-15-18-7-3-5-9-22(18)31-24(15)27(14-16-10-11-19(25)20(26)12-16)32(28,29)23-13-17-6-2-4-8-21(17)30-23/h2-13H,14H2,1H3
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| InChIKey |
GWQUDPDSHKZZNG-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