General Information of the Compound
| Compound ID |
CP0559410
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| Compound Name |
US9199981, F66
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| Structure |
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| Formula |
C25H22F2N8O3
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| Molecular Weight |
520.5
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2cc(ccn12)-c1cn(CCO)nn1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C25H22F2N8O3/c1-14-2-3-16(22-30-24(38-32-22)17-10-25(26,27)11-17)8-18(14)29-23(37)20-12-28-21-9-15(4-5-35(20)21)19-13-34(6-7-36)33-31-19/h2-5,8-9,12-13,17,36H,6-7,10-11H2,1H3,(H,29,37)
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| InChIKey |
YIDCEVNXBMMFHY-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