General Information of the Compound
| Compound ID |
CP0374645
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| Compound Name |
4-(3,4-Dimethoxy-phenyl)-5,6,7-trimethoxy-2-(3-methyl-butyl)-quinoline
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| Structure |
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| Formula |
C25H31NO5
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| Molecular Weight |
425.525
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(CCC(C)C)nc2cc(OC)c(OC)c(OC)c12
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| InChI |
InChI=1S/C25H31NO5/c1-15(2)8-10-17-13-18(16-9-11-20(27-3)21(12-16)28-4)23-19(26-17)14-22(29-5)24(30-6)25(23)31-7/h9,11-15H,8,10H2,1-7H3
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| InChIKey |
SYRKEPOKMUBGKH-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