General Information of the Compound
| Compound ID |
CP0510840
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| Compound Name |
US11046688, Example 53
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccnc(OCC3CC3)c2n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H22N6O2/c1-28-12-17(11-25-28)15-5-6-18(19(9-15)29-2)26-22-24-10-16-7-8-23-21(20(16)27-22)30-13-14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,24,26,27)
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| InChIKey |
BWHUMVAWMHVYPY-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