General Information of the Compound
| Compound ID |
CP0248354
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| Compound Name |
(2R)-3-[2-amino-6-(3-chloropyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
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| Structure |
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| Formula |
C24H29ClN4O
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| Molecular Weight |
424.976
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| Canonical SMILES |
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1Cl)C(=O)NCCC(C)(C)C
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| InChI |
InChI=1S/C24H29ClN4O/c1-15(23(30)28-11-9-24(2,3)4)12-18-14-17-13-16(7-8-20(17)29-22(18)26)21-19(25)6-5-10-27-21/h5-8,10,13-15H,9,11-12H2,1-4H3,(H2,26,29)(H,28,30)/t15-/m1/s1
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| InChIKey |
KJTIMMBPKQWGQS-OAHLLOKOSA-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