General Information of the Compound
| Compound ID |
CP0457024
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| Compound Name |
US9428503, 3
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| Structure |
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| Formula |
C27H32FN5O3
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| Molecular Weight |
493.583
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| Canonical SMILES |
CN(C)CCCOc1ccc(cn1)-c1cc2c3n(c(=O)n(C)c3cnc2cc1F)C1(C)CCOCC1
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| InChI |
InChI=1S/C27H32FN5O3/c1-27(8-12-35-13-9-27)33-25-20-14-19(18-6-7-24(30-16-18)36-11-5-10-31(2)3)21(28)15-22(20)29-17-23(25)32(4)26(33)34/h6-7,14-17H,5,8-13H2,1-4H3
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| InChIKey |
ALMNQGLNZWNMGU-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