General Information of the Compound
| Compound ID |
CP0412518
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| Compound Name |
2-(2,6-diethylphenyl)-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline
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| Structure |
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| Formula |
C31H38N2O3
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| Molecular Weight |
486.656
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cc(OC)c(OC)cc2C1
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| InChI |
InChI=1S/C31H38N2O3/c1-6-20-10-8-11-21(7-2)30(20)25-18-29(36-5)31-24(32-25)12-9-13-26(31)33-15-14-22-16-27(34-3)28(35-4)17-23(22)19-33/h8,10-11,16-18,26H,6-7,9,12-15,19H2,1-5H3
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| InChIKey |
ZMXMYHXDBFKTEV-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