General Information of the Compound
| Compound ID |
CP0110933
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| Compound Name |
US8575201, 55
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| Structure |
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| Formula |
C21H20N8O2
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| Molecular Weight |
416.445
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| Canonical SMILES |
Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1cnn(c1)C1COC1
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| InChI |
InChI=1S/C21H20N8O2/c22-20-24-6-13(7-25-20)17-3-2-15(9-23-17)21(4-1-5-21)19-27-18(31-28-19)14-8-26-29(10-14)16-11-30-12-16/h2-3,6-10,16H,1,4-5,11-12H2,(H2,22,24,25)
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| InChIKey |
SJUWQTQEQVEDFC-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