General Information of the Compound
| Compound ID |
CP0402721
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| Compound Name |
US9428503, CN102399218A: Compound 94
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| Structure |
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| Formula |
C20H20N6O2
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| Molecular Weight |
376.42
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| Canonical SMILES |
Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1cnc(N)nc1
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| InChI |
InChI=1S/C20H20N6O2/c1-25-17-11-22-16-3-2-12(13-9-23-19(21)24-10-13)8-15(16)18(17)26(20(25)27)14-4-6-28-7-5-14/h2-3,8-11,14H,4-7H2,1H3,(H2,21,23,24)
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| InChIKey |
YMLAOBUVHWUIQH-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