General Information of the Compound
| Compound ID |
CP0438377
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| Compound Name |
2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-3-methyl-N-pentan-3-ylquinolin-5-amine
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| Structure |
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| Formula |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
CCC(CC)Nc1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
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| InChI |
InChI=1S/C25H32N2O4/c1-7-18(8-2)26-20-10-9-11-21-19(20)12-16(3)25(27-21)31-24-22(29-5)13-17(15-28-4)14-23(24)30-6/h9-14,18,26H,7-8,15H2,1-6H3
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| InChIKey |
SQMODRQGSOREHD-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