General Information of the Compound
| Compound ID |
CP0519190
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| Compound Name |
US9434711, 637
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| Structure |
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| Formula |
C20H16F3N3O3S3
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| Molecular Weight |
499.561
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC(F)(F)F)S(=O)(=O)c1ccc(cc1)-c1nsc(=O)[nH]1
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| InChI |
InChI=1S/C20H16F3N3O3S3/c1-12-15-4-2-3-5-16(15)30-18(12)26(11-10-20(21,22)23)32(28,29)14-8-6-13(7-9-14)17-24-19(27)31-25-17/h2-9H,10-11H2,1H3,(H,24,25,27)
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| InChIKey |
HRTRELQISDYBCC-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