General Information of the Compound
| Compound ID |
CP0248350
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| Compound Name |
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide
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| Structure |
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| Formula |
C26H31N3O2
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| Molecular Weight |
417.553
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| Canonical SMILES |
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCOCC1
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| InChI |
InChI=1S/C26H31N3O2/c1-17-5-3-4-6-23(17)20-7-8-24-21(14-20)15-22(25(27)29-24)13-18(2)26(30)28-16-19-9-11-31-12-10-19/h3-8,14-15,18-19H,9-13,16H2,1-2H3,(H2,27,29)(H,28,30)/t18-/m1/s1
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| InChIKey |
ZZLASUXQDJCLCY-GOSISDBHSA-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