General Information of the Compound
| Compound ID |
CP0540068
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| Compound Name |
US10772893, Example 41
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| Structure |
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| Formula |
C19H22N4O2
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| Molecular Weight |
338.411
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| Canonical SMILES |
CC(C)Oc1cc(nc2c(nccc12)-c1ccc[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C19H22N4O2/c1-13(2)25-16-12-17(23-8-10-24-11-9-23)22-18-14(16)5-7-21-19(18)15-4-3-6-20-15/h3-7,12-13,20H,8-11H2,1-2H3
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| InChIKey |
GRZNEMLYJKJTIU-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