General Information of the Compound
| Compound ID |
CP0495351
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| Compound Name |
US9434711, 527
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| Structure |
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| Formula |
C22H15F4NO4S3
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| Molecular Weight |
529.558
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1cc(cs1)C(O)=O
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| InChI |
InChI=1S/C22H15F4NO4S3/c1-12-15-4-2-3-5-18(15)33-20(12)27(34(30,31)19-9-14(11-32-19)21(28)29)10-13-6-7-17(23)16(8-13)22(24,25)26/h2-9,11H,10H2,1H3,(H,28,29)
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| InChIKey |
VGBONDVLWCRBFG-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