General Information of the Compound
| Compound ID |
CP0561970
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| Compound Name |
US9434711, 607
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| Structure |
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| Formula |
C18H13BrF3N3O4S3
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| Molecular Weight |
568.418
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| Canonical SMILES |
FC(F)(F)CCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(cc1)C1=NOS(=O)N1
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| InChI |
InChI=1S/C18H13BrF3N3O4S3/c19-15-13-3-1-2-4-14(13)30-17(15)25(10-9-18(20,21)22)32(27,28)12-7-5-11(6-8-12)16-23-29-31(26)24-16/h1-8H,9-10H2,(H,23,24)
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| InChIKey |
RXZSSCPZRXDJCI-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