General Information of the Compound
| Compound ID |
CP0564115
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| Compound Name |
US9434711, 598
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| Structure |
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| Formula |
C19H16F3N3O4S3
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| Molecular Weight |
503.549
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC(F)(F)F)S(=O)(=O)c1ccc(cc1)C1=NOS(=O)N1
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| InChI |
InChI=1S/C19H16F3N3O4S3/c1-12-15-4-2-3-5-16(15)30-18(12)25(11-10-19(20,21)22)32(27,28)14-8-6-13(7-9-14)17-23-29-31(26)24-17/h2-9H,10-11H2,1H3,(H,23,24)
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| InChIKey |
MJTHGNTUKXQMHW-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