General Information of the Compound
| Compound ID |
CP0152302
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| Compound Name |
3-[2-amino-6-(3-methoxypyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
COc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1
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| InChI |
InChI=1S/C25H32N4O2/c1-16(24(30)28-12-10-25(2,3)4)13-19-15-18-14-17(8-9-20(18)29-23(19)26)22-21(31-5)7-6-11-27-22/h6-9,11,14-16H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)
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| InChIKey |
XRTJBGHFZMXONU-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