General Information of the Compound
| Compound ID |
CP0164864
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| Compound Name |
7-fluoro-8-[6-(methoxymethyl)pyridin-3-yl]-3-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]imidazo[4,5-c]quinolin-2-one
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| Structure |
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| Formula |
C25H27FN4O3
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| Molecular Weight |
450.514
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| Canonical SMILES |
COCc1ccc(cn1)-c1cc2c3n([C@@H](C)C4CCOCC4)c(=O)n(C)c3cnc2cc1F
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| InChI |
InChI=1S/C25H27FN4O3/c1-15(16-6-8-33-9-7-16)30-24-20-10-19(17-4-5-18(14-32-3)27-12-17)21(26)11-22(20)28-13-23(24)29(2)25(30)31/h4-5,10-13,15-16H,6-9,14H2,1-3H3/t15-/m0/s1
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| InChIKey |
BDRLCPRWVOMQFA-HNNXBMFYSA-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: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR