General Information of the Compound
| Compound ID |
CP0467864
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| Compound Name |
6-[2-(4-methylsulfonylphenyl)ethyl]-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
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| Structure |
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| Formula |
C25H35NO2S
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| Molecular Weight |
413.627
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| Canonical SMILES |
CCCN(CCC)C1CCc2cc(CCc3ccc(cc3)S(C)(=O)=O)ccc2C1
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| InChI |
InChI=1S/C25H35NO2S/c1-4-16-26(17-5-2)24-13-12-22-18-21(8-11-23(22)19-24)7-6-20-9-14-25(15-10-20)29(3,27)28/h8-11,14-15,18,24H,4-7,12-13,16-17,19H2,1-3H3
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| InChIKey |
QCYUUTMUPYPDBW-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