General Information of the Compound
| Compound ID |
CP0526524
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| Compound Name |
US8772304, 10
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| Structure |
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| Formula |
C23H22N8O
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| Molecular Weight |
426.484
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| Canonical SMILES |
CNC(=O)c1ccc(nc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
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| InChI |
InChI=1S/C23H22N8O/c1-23(2,3)31-18-8-5-13(14-11-27-22(25)28-12-14)9-17(18)30-20(31)19-16(21(32)26-4)7-6-15(10-24)29-19/h5-9,11-12H,1-4H3,(H,26,32)(H2,25,27,28)
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| InChIKey |
ZZVDYVDVUXYJKJ-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