General Information of the Compound
| Compound ID |
CP0539819
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| Compound Name |
US8952008, 2
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| Structure |
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| Formula |
C20H16F2N4O2S
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| Molecular Weight |
414.437
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C20H16F2N4O2S/c1-3-26-11-23-19-16(10-24-25-20(19)26)12-4-7-17(21)15(8-12)14-6-5-13(9-18(14)22)29(2,27)28/h4-11H,3H2,1-2H3
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| InChIKey |
JBBFRNSUQWIIQO-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