General Information of the Compound
| Compound ID |
CP0867336
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| Compound Name |
5-[N-(4-Methoxyphenethyl)-N-methylamino]-2-propylisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
CCCn1ccc2c(N(C)CCc3ccc(OC)cc3)cccc2c1=O
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| InChI |
InChI=1S/C22H26N2O2/c1-4-14-24-16-13-19-20(22(24)25)6-5-7-21(19)23(2)15-12-17-8-10-18(26-3)11-9-17/h5-11,13,16H,4,12,14-15H2,1-3H3
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| InChIKey |
LHSPQPRENUPWKB-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