General Information of the Compound
| Compound ID |
CP0412196
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| Compound Name |
US9199981, F147
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| Structure |
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| Formula |
C26H21F2N7O4
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| Molecular Weight |
533.495
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cnn(CC(O)=O)c1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C26H21F2N7O4/c1-14-2-3-15(23-32-25(39-33-23)17-7-26(27,28)8-17)6-19(14)31-24(38)20-10-29-21-5-4-16(12-35(20)21)18-9-30-34(11-18)13-22(36)37/h2-6,9-12,17H,7-8,13H2,1H3,(H,31,38)(H,36,37)
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| InChIKey |
WMOGDCLNSOMBFC-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