General Information of the Compound
| Compound ID |
CP0435037
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| Compound Name |
N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
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| Structure |
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| Formula |
C28H27FN2O
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| Molecular Weight |
426.535
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| Canonical SMILES |
CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1F)c1cccc2ccccc12
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| InChI |
InChI=1S/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3
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| InChIKey |
JZWUMLVHJPFGLQ-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