General Information of the Compound
| Compound ID |
CP0180774
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| Compound Name |
4-(2-ethylbutylamino)-6-[6-(hydroxymethyl)pyridin-3-yl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C22H26N4O2
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| Molecular Weight |
378.476
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| Canonical SMILES |
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CO)nc1)C(N)=O
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| InChI |
InChI=1S/C22H26N4O2/c1-3-14(4-2)10-26-21-18-9-15(16-5-7-17(13-27)24-11-16)6-8-20(18)25-12-19(21)22(23)28/h5-9,11-12,14,27H,3-4,10,13H2,1-2H3,(H2,23,28)(H,25,26)
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| InChIKey |
UBSRTPHETWULEN-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