General Information of the Compound
Compound ID |
CP0453924
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Compound Name |
N-[3-[(6-methoxy-4-methylquinolin-2-yl)amino]propyl]thiophene-3-carboxamide
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Structure |
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Formula |
C19H21N3O2S
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Molecular Weight |
355.463
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Canonical SMILES |
COc1ccc2nc(NCCCNC(=O)c3ccsc3)cc(C)c2c1
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InChI |
InChI=1S/C19H21N3O2S/c1-13-10-18(22-17-5-4-15(24-2)11-16(13)17)20-7-3-8-21-19(23)14-6-9-25-12-14/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,22)(H,21,23)
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InChIKey |
ZSIOKDWEJZGJHW-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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