General Information of the Compound
| Compound ID |
CP0481721
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| Compound Name |
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3,4-dimethoxybenzamide
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
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| InChI |
InChI=1S/C23H24N4O3/c1-14-9-15(2)18-11-17(13-24)22(27-19(18)10-14)25-7-8-26-23(28)16-5-6-20(29-3)21(12-16)30-4/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)(H,26,28)
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| InChIKey |
KTUNBPNLTJXYAD-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