General Information of the Compound
| Compound ID |
CP0463901
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| Compound Name |
US9199981, F79
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| Structure |
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| Formula |
C24H20F2N8O2
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| Molecular Weight |
490.474
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| Canonical SMILES |
Cc1nnc([nH]1)-c1ccc2ncc(C(=O)Nc3cc(ccc3C)-c3noc(n3)C3CC(F)(F)C3)n2c1
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| InChI |
InChI=1S/C24H20F2N8O2/c1-12-3-4-14(21-30-23(36-33-21)16-8-24(25,26)9-16)7-17(12)29-22(35)18-10-27-19-6-5-15(11-34(18)19)20-28-13(2)31-32-20/h3-7,10-11,16H,8-9H2,1-2H3,(H,29,35)(H,28,31,32)
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| InChIKey |
TYEOCDLQDPFRIX-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