General Information of the Compound
| Compound ID |
CP0501739
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| Compound Name |
3-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N,N-dipropylisoquinolin-4-amine
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| Structure |
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| Formula |
C26H34N2O
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| Molecular Weight |
390.571
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| Canonical SMILES |
CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)c2ccccc12
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| InChI |
InChI=1S/C26H34N2O/c1-7-14-28(15-8-2)26-21-13-11-10-12-20(21)25(27-22(26)9-3)24-19(5)16-18(4)17-23(24)29-6/h10-13,16-17H,7-9,14-15H2,1-6H3
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| InChIKey |
OXCIJETVASWDCH-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