General Information of the Compound
| Compound ID |
CP0491230
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| Compound Name |
4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
CCC(CC)COc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O
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| InChI |
InChI=1S/C21H23N3O2/c1-3-14(4-2)13-26-20-17-10-15(16-6-5-9-23-11-16)7-8-19(17)24-12-18(20)21(22)25/h5-12,14H,3-4,13H2,1-2H3,(H2,22,25)
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| InChIKey |
FBASSETWBJFREY-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