General Information of the Compound
| Compound ID |
CP0480888
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| Compound Name |
US9428503, 9
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| Structure |
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| Formula |
C24H26FN5O3
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| Molecular Weight |
451.502
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| Canonical SMILES |
CN(C)CCCOc1ccc(cn1)-c1cc2c3n(C4COC4)c(=O)n(C)c3cnc2cc1F
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| InChI |
InChI=1S/C24H26FN5O3/c1-28(2)7-4-8-33-22-6-5-15(11-27-22)17-9-18-20(10-19(17)25)26-12-21-23(18)30(16-13-32-14-16)24(31)29(21)3/h5-6,9-12,16H,4,7-8,13-14H2,1-3H3
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| InChIKey |
YHUHZZWORFKBEO-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