General Information of the Compound
| Compound ID |
CP0464388
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| Compound Name |
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H21N5O
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| Molecular Weight |
359.433
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| Canonical SMILES |
Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)c3cccnc3)nc2c1
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| InChI |
InChI=1S/C21H21N5O/c1-14-9-15(2)18-11-17(12-22)20(26-19(18)10-14)24-7-4-8-25-21(27)16-5-3-6-23-13-16/h3,5-6,9-11,13H,4,7-8H2,1-2H3,(H,24,26)(H,25,27)
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| InChIKey |
MSMXCDGAYITCKN-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