General Information of the Compound
| Compound ID |
CP0417747
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| Compound Name |
(+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine
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| Structure |
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| Formula |
C27H32N2O
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| Molecular Weight |
400.566
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
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| InChI |
InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
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| InChIKey |
BGVMOAYPPKYPSF-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