General Information of the Compound
| Compound ID |
CP0426547
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| Compound Name |
US8987445, 129
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| Structure |
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| Formula |
C25H18BrF3N2O5S
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| Molecular Weight |
595.393
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| Canonical SMILES |
Cc1c(nc(Br)c2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H18BrF3N2O5S/c1-15-20-4-2-3-5-21(20)22(26)30-23(15)31(14-16-6-10-18(11-7-16)36-25(27,28)29)37(34,35)19-12-8-17(9-13-19)24(32)33/h2-13H,14H2,1H3,(H,32,33)
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| InChIKey |
OEZIXEVGYSCBBC-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