General Information of the Compound
| Compound ID |
CP0452974
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| Compound Name |
7-(Propyl(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
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| Structure |
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| Formula |
C28H36N4O
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| Molecular Weight |
444.623
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccnc2ccccc12)C1CCc2ccc(O)cc2C1
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| InChI |
InChI=1S/C28H36N4O/c1-2-13-31(24-9-7-22-8-10-25(33)21-23(22)20-24)17-14-30-15-18-32(19-16-30)28-11-12-29-27-6-4-3-5-26(27)28/h3-6,8,10-12,21,24,33H,2,7,9,13-20H2,1H3
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| InChIKey |
WBZRGAFDKQUGFB-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