General Information of the Compound
| Compound ID |
CP0515158
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| Compound Name |
2-(2,6-diethylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline
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| Structure |
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| Formula |
C29H34N2O
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| Molecular Weight |
426.604
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H34N2O/c1-4-20-12-8-13-21(5-2)28(20)25-18-27(32-3)29-24(30-25)14-9-15-26(29)31-17-16-22-10-6-7-11-23(22)19-31/h6-8,10-13,18,26H,4-5,9,14-17,19H2,1-3H3
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| InChIKey |
UJAQFXNVJNHNFX-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