General Information of the Compound
| Compound ID |
CP0427685
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| Compound Name |
ethyl 6-(3,4-dimethoxyphenyl)-4-(3-imidazol-1-ylpropylamino)quinoline-3-carboxylate
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| Structure |
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| Formula |
C26H28N4O4
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| Molecular Weight |
460.534
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(cc2c1NCCCn1ccnc1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C26H28N4O4/c1-4-34-26(31)21-16-29-22-8-6-18(19-7-9-23(32-2)24(15-19)33-3)14-20(22)25(21)28-10-5-12-30-13-11-27-17-30/h6-9,11,13-17H,4-5,10,12H2,1-3H3,(H,28,29)
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| InChIKey |
QXGMWQDWDIGCJG-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