General Information of the Compound
| Compound ID |
CP0558418
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| Compound Name |
5-fluoro-4-(oxan-4-ylamino)-6-pyridin-3-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C20H19FN4O2
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| Molecular Weight |
366.396
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| Canonical SMILES |
NC(=O)c1cnc2ccc(c(F)c2c1NC1CCOCC1)-c1cccnc1
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| InChI |
InChI=1S/C20H19FN4O2/c21-18-14(12-2-1-7-23-10-12)3-4-16-17(18)19(15(11-24-16)20(22)26)25-13-5-8-27-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2,(H2,22,26)(H,24,25)
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| InChIKey |
GSQOKOLEAZWSAN-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: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR