General Information of the Compound
| Compound ID |
CP0412576
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| Compound Name |
2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethyl-N,N-dipropylquinolin-5-amine
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| Structure |
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| Formula |
C27H36N2O4
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| Molecular Weight |
452.595
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| Canonical SMILES |
CCCN(CCC)c1ccc(C)c2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
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| InChI |
InChI=1S/C27H36N2O4/c1-8-12-29(13-9-2)22-11-10-18(3)25-21(22)14-19(4)27(28-25)33-26-23(31-6)15-20(17-30-5)16-24(26)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3
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| InChIKey |
HDFJUFIQPXJHHV-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