General Information of the Compound
| Compound ID |
CP0450750
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| Compound Name |
US9199981, F154
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| Structure |
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| Formula |
C25H22F2N6O4
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| Molecular Weight |
508.485
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(CN3CCOC3=O)cn12)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C25H22F2N6O4/c1-14-2-4-16(21-30-23(37-31-21)17-9-25(26,27)10-17)8-18(14)29-22(34)19-11-28-20-5-3-15(13-33(19)20)12-32-6-7-36-24(32)35/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,29,34)
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| InChIKey |
ZHTTUPZLXLKBER-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