General Information of the Compound
| Compound ID |
CP0559764
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| Compound Name |
US8993765, 29
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| Structure |
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| Formula |
C26H26N4O3
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| Molecular Weight |
442.519
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| Canonical SMILES |
CC1Cc2c(CN1C(C)=O)c1ccc(nc1n2C)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H26N4O3/c1-17-13-23-22(15-30(17)18(2)31)21-9-10-24(27-26(21)28(23)3)29-12-11-20(14-25(29)32)33-16-19-7-5-4-6-8-19/h4-12,14,17H,13,15-16H2,1-3H3
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| InChIKey |
CYGXFBFEWRVKSA-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