General Information of the Compound
| Compound ID |
CP0489617
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| Compound Name |
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C20H19N5O
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| Molecular Weight |
345.406
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| Canonical SMILES |
Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccncc3)nc2c1
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| InChI |
InChI=1S/C20H19N5O/c1-13-9-14(2)17-11-16(12-21)19(25-18(17)10-13)23-7-8-24-20(26)15-3-5-22-6-4-15/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H,24,26)
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| InChIKey |
NHEFELIQQRRHSB-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