General Information of the Compound
| Compound ID |
CP0561339
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| Compound Name |
US9199981, F84
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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 |
COCc1n[nH]c(n1)-c1ccc2ncc(C(=O)Nc3cc(ccc3C)-c3noc(n3)C3CC(F)(F)C3)n2c1
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| InChI |
InChI=1S/C25H22F2N8O3/c1-13-3-4-14(22-31-24(38-34-22)16-8-25(26,27)9-16)7-17(13)29-23(36)18-10-28-20-6-5-15(11-35(18)20)21-30-19(12-37-2)32-33-21/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,29,36)(H,30,32,33)
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| InChIKey |
LRHHTPFGYJWATC-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