General Information of the Compound
| Compound ID |
CP0387609
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| Compound Name |
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4-methoxyphenyl)aniline
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| Structure |
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| Formula |
C27H32N2O3
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| Molecular Weight |
432.564
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(NCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C27H32N2O3/c1-30-25-11-7-21(8-12-25)20-5-9-24(10-6-20)28-14-4-15-29-16-13-22-17-26(31-2)27(32-3)18-23(22)19-29/h5-12,17-18,28H,4,13-16,19H2,1-3H3
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| InChIKey |
UJKJUHUUFKTEDM-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