General Information of the Compound
| Compound ID |
CP0432078
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| Compound Name |
2-(2,6-diethylphenyl)-N-ethyl-4-methylsulfanyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
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| Structure |
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| Formula |
C32H36N2S
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| Molecular Weight |
480.721
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| Canonical SMILES |
CCN(C1CCCc2nc(cc(SC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
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| InChI |
InChI=1S/C32H36N2S/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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| InChIKey |
CMLVDJNLTCLQQU-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