General Information of the Compound
| Compound ID |
CP0437819
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| Compound Name |
2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine
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| Structure |
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| Formula |
C28H36N2O5
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| Molecular Weight |
480.605
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| Canonical SMILES |
CCN(CC1CCOCC1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
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| InChI |
InChI=1S/C28H36N2O5/c1-6-30(17-20-10-12-34-13-11-20)24-9-7-8-23-22(24)14-19(2)28(29-23)35-27-25(32-4)15-21(18-31-3)16-26(27)33-5/h7-9,14-16,20H,6,10-13,17-18H2,1-5H3
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| InChIKey |
VVAPCBFQSJRQEX-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