General Information of the Compound
| Compound ID |
CP0375619
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| Compound Name |
(S)-6-(propyl(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-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)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C28H36N4O/c1-2-14-31(23-10-11-24-22(21-23)6-5-9-28(24)33)18-15-30-16-19-32(20-17-30)27-12-13-29-26-8-4-3-7-25(26)27/h3-9,12-13,23,33H,2,10-11,14-21H2,1H3/t23-/m0/s1
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| InChIKey |
MDTYNDPHGHTQTJ-QHCPKHFHSA-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