General Information of the Compound
| Compound ID |
CP0007635
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| Compound Name |
2-(4-chlorophenyl)-2-(4-phenylsulfanylphenyl)ethanamine
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| Structure |
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| Formula |
C20H18ClNS
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| Molecular Weight |
339.891
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| Canonical SMILES |
NCC(c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1
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| InChI |
InChI=1S/C20H18ClNS/c21-17-10-6-15(7-11-17)20(14-22)16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13,20H,14,22H2
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| InChIKey |
ABMWLOGCDSAWPT-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
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7