General Information of the Compound
| Compound ID |
CP0559629
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| Compound Name |
US9199981, F46
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| Structure |
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| Formula |
C24H18F2N6O2S
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| Molecular Weight |
492.511
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cscn1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C24H18F2N6O2S/c1-13-2-3-14(21-30-23(34-31-21)16-7-24(25,26)8-16)6-17(13)29-22(33)19-9-27-20-5-4-15(10-32(19)20)18-11-35-12-28-18/h2-6,9-12,16H,7-8H2,1H3,(H,29,33)
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| InChIKey |
FZYVKXRUCUFWPT-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