General Information of the Compound
| Compound ID |
CP0554339
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| Compound Name |
US8829200, 28
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| Structure |
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccccc1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C26H28N6O2/c1-26(2,3)32-22-9-8-17(18-15-28-25(27)29-16-18)14-21(22)30-23(32)19-6-4-5-7-20(19)24(33)31-10-12-34-13-11-31/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,29)
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| InChIKey |
BMKQQLOHUPSGER-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