General Information of the Compound
| Compound ID |
CP0529042
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| Compound Name |
US9434711, 668
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| Structure |
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| Formula |
C19H18BrF3N2O2S2
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| Molecular Weight |
507.397
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)N(CCCCC(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C19H18BrF3N2O2S2/c20-17-15-5-1-2-6-16(15)28-18(17)25(12-4-3-11-19(21,22)23)29(26,27)14-9-7-13(24)8-10-14/h1-2,5-10H,3-4,11-12,24H2
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| InChIKey |
VEMVTPSLVDMQTA-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