General Information of the Compound
| Compound ID |
CP0417213
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| Compound Name |
6-[(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C26H37N3O2
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| Molecular Weight |
423.601
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccccc1OC)C1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3
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| InChIKey |
ZGSHIAJEAFZHNC-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