General Information of the Compound
| Compound ID |
CP0476586
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| Compound Name |
US9428503, 13
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| Structure |
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3[nH]c(=O)n(C4CCOCC4)c3c2c1
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| InChI |
InChI=1S/C25H29N5O3/c1-29(2)10-3-11-33-23-7-5-18(15-27-23)17-4-6-21-20(14-17)24-22(16-26-21)28-25(31)30(24)19-8-12-32-13-9-19/h4-7,14-16,19H,3,8-13H2,1-2H3,(H,28,31)
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| InChIKey |
GHXGFAYAOFHWSA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR