General Information of the Compound
| Compound ID |
CP0064442
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| Compound Name |
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
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| Structure |
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cnccn1
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| InChI |
InChI=1S/C25H25N5O/c1-16-5-3-4-6-22(16)18-7-8-23-19(12-18)13-20(24(26)30-23)11-17(2)25(31)29-15-21-14-27-9-10-28-21/h3-10,12-14,17H,11,15H2,1-2H3,(H2,26,30)(H,29,31)/t17-/m1/s1
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| InChIKey |
YENQOHPBORWMLX-QGZVFWFLSA-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