General Information of the Compound
| Compound ID |
CP0458826
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| Compound Name |
6-[(4-methoxyphenyl)sulfanylmethyl]-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
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| Structure |
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| Formula |
C24H33NOS
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| Molecular Weight |
383.601
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| Canonical SMILES |
CCCN(CCC)C1CCc2cc(CSc3ccc(OC)cc3)ccc2C1
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| InChI |
InChI=1S/C24H33NOS/c1-4-14-25(15-5-2)22-9-8-20-16-19(6-7-21(20)17-22)18-27-24-12-10-23(26-3)11-13-24/h6-7,10-13,16,22H,4-5,8-9,14-15,17-18H2,1-3H3
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| InChIKey |
ZFEFDWZMIMRBOX-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor