General Information of the Compound
| Compound ID |
CP0561336
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| Compound Name |
US9199981, F41
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| Structure |
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| Formula |
C26H23F2N7O3
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| Molecular Weight |
519.512
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cnn(CCO)c1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C26H23F2N7O3/c1-15-2-3-16(23-32-25(38-33-23)18-9-26(27,28)10-18)8-20(15)31-24(37)21-12-29-22-5-4-17(14-35(21)22)19-11-30-34(13-19)6-7-36/h2-5,8,11-14,18,36H,6-7,9-10H2,1H3,(H,31,37)
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| InChIKey |
STZWVRVZGPYDKL-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