General Information of the Compound
| Compound ID |
CP0926438
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| Compound Name |
US9199981, F7
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| Structure |
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| Formula |
C22H20N6O3
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| Molecular Weight |
416.441
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| Canonical SMILES |
CON=C1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
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| InChI |
InChI=1S/C22H20N6O3/c1-13-6-7-14(20-25-22(31-27-20)15-9-16(10-15)26-30-2)11-17(13)24-21(29)18-12-23-19-5-3-4-8-28(18)19/h3-8,11-12,15H,9-10H2,1-2H3,(H,24,29)
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| InChIKey |
NQBZUPQOCMPGNT-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