General Information of the Compound
| Compound ID |
CP0152303
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| Compound Name |
3-[2-amino-6-(3-cyanopyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
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| Structure |
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| Formula |
C25H29N5O
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| Molecular Weight |
415.541
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| Canonical SMILES |
CC(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C(=O)NCCC(C)(C)C
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| InChI |
InChI=1S/C25H29N5O/c1-16(24(31)29-11-9-25(2,3)4)12-20-14-19-13-17(7-8-21(19)30-23(20)27)22-18(15-26)6-5-10-28-22/h5-8,10,13-14,16H,9,11-12H2,1-4H3,(H2,27,30)(H,29,31)
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| InChIKey |
HYWGNSXXNDFBQD-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