General Information of the Compound
| Compound ID |
CP0375620
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| Compound Name |
5-((4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)ethyl)piperazin-1-yl)methyl)quinolin-8-ol
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| Structure |
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| Formula |
C28H36N4O2
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| Molecular Weight |
460.622
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccc(O)c2ncccc12)C1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C28H36N4O2/c1-2-13-31(22-8-9-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-10-11-27(34)28-24(25)6-4-12-29-28/h3-7,10-12,22,33-34H,2,8-9,13-20H2,1H3
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| InChIKey |
WUJBQGWQEZSHSL-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