General Information of the Compound
| Compound ID |
CP0452595
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| Compound Name |
(2S)-4-[(4-chlorophenyl)methyl]-2-(phenylsulfanylmethyl)morpholine
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| Structure |
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| Formula |
C18H20ClNOS
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| Molecular Weight |
333.884
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| Canonical SMILES |
Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
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| InChI |
InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
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| InChIKey |
XINSSTGUTQPDTR-KRWDZBQOSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor