General Information of the Compound
| Compound ID |
CP0446319
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| Compound Name |
2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-3-methyl-8-(trifluoromethyl)quinolin-5-amine
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| Structure |
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| Formula |
C25H29F3N2O3
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| Molecular Weight |
462.512
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| Canonical SMILES |
CCN(CC)c1ccc(c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N2O3/c1-7-30(8-2)19-10-9-18(25(26,27)28)24-17(19)11-15(3)23(29-24)22-20(32-5)12-16(14-31-4)13-21(22)33-6/h9-13H,7-8,14H2,1-6H3
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| InChIKey |
UPPJBWWRTVBCTF-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