General Information of the Compound
| Compound ID |
CP0474725
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| Compound Name |
4-(2-ethylbutylamino)-7-fluoro-6-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-5-yl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H34FN7O
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| Molecular Weight |
479.604
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| Canonical SMILES |
CCC(CC)CNc1c(cnc2cc(F)c(cc12)-c1cnc(NCCN2CCCC2)nc1)C(N)=O
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| InChI |
InChI=1S/C26H34FN7O/c1-3-17(4-2)13-31-24-20-11-19(22(27)12-23(20)30-16-21(24)25(28)35)18-14-32-26(33-15-18)29-7-10-34-8-5-6-9-34/h11-12,14-17H,3-10,13H2,1-2H3,(H2,28,35)(H,30,31)(H,29,32,33)
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| InChIKey |
YZMHRXIVRHGKIZ-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