General Information of the Compound
| Compound ID |
CP0081675
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| Compound Name |
US9428503, 4
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| Structure |
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| Formula |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1
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| InChI |
InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3
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| InChIKey |
WGCDXRFFSPQJBW-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