General Information of the Compound
| Compound ID |
CP0935712
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| Compound Name |
Methyl{[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxy}acetate dihydrochloride
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| Structure |
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| Formula |
C24H30Cl2N2O3
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| Molecular Weight |
465.421
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| Canonical SMILES |
COC(=O)COc1ccc2nc(CC(C)C)c(CN)c(-c3ccc(C)cc3)c2c1.Cl.Cl
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| InChI |
InChI=1S/C24H28N2O3.2ClH/c1-15(2)11-22-20(13-25)24(17-7-5-16(3)6-8-17)19-12-18(9-10-21(19)26-22)29-14-23(27)28-4;;/h5-10,12,15H,11,13-14,25H2,1-4H3;2*1H
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| InChIKey |
FMALOFBHJGCJDT-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