General Information of the Compound
| Compound ID |
CP0530477
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| Compound Name |
1-(2-ethyl-4-methoxyphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
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| Structure |
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| Formula |
C25H32N2O
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| Molecular Weight |
376.544
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2CC)c2ccccc12
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| InChI |
InChI=1S/C25H32N2O/c1-6-15-27(16-7-2)25-18(4)26-24(22-11-9-10-12-23(22)25)21-14-13-20(28-5)17-19(21)8-3/h9-14,17H,6-8,15-16H2,1-5H3
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| InChIKey |
BZDYTWSLTAODSM-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