General Information of the Compound
Compound ID |
CP0446318
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Compound Name |
5-(diethylamino)-2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-3-methylquinoline-8-carbonitrile
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Structure |
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Formula |
C25H29N3O3
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Molecular Weight |
419.525
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Canonical SMILES |
CCN(CC)c1ccc(C#N)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC
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InChI |
InChI=1S/C25H29N3O3/c1-7-28(8-2)20-10-9-18(14-26)25-19(20)11-16(3)24(27-25)23-21(30-5)12-17(15-29-4)13-22(23)31-6/h9-13H,7-8,15H2,1-6H3
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InChIKey |
YJUKMZOXZHNYIB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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