General Information of the Compound
| Compound ID |
CP0395021
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| Compound Name |
(+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-o-tolyl-5,6,7,8-tetrahydroquinolin-5-amine
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| Structure |
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| Formula |
C28H34N2O
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| Molecular Weight |
414.593
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1C
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| InChI |
InChI=1S/C28H34N2O/c1-6-20-13-10-14-21(7-2)27(20)23-18-26(31-5)28-22(29-23)15-11-17-25(28)30(4)24-16-9-8-12-19(24)3/h8-10,12-14,16,18,25H,6-7,11,15,17H2,1-5H3
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| InChIKey |
RDNBSCGXQIOVJZ-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