General Information of the Compound
| Compound ID |
CP0373113
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| Compound Name |
methyl 2-[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-8-carboxylate
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| Structure |
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| Formula |
C31H36N2O3
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| Molecular Weight |
484.64
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cccc(C(=O)OC)c2C1
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| InChI |
InChI=1S/C31H36N2O3/c1-5-20-10-7-11-21(6-2)29(20)26-18-28(35-3)30-25(32-26)14-9-15-27(30)33-17-16-22-12-8-13-23(24(22)19-33)31(34)36-4/h7-8,10-13,18,27H,5-6,9,14-17,19H2,1-4H3
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| InChIKey |
AFRYVACYSKMULR-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