General Information of the Compound
| Compound ID |
CP0848876
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| Compound Name |
rac-4'-(4-(2-((2-Amino-5,6,7,8-tetrahydroquinazolin-6-yl)-(propyl)amino)ethyl)piperazin-1-yl)-[1,1'-biphenyl]-3-ol
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| Structure |
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| Formula |
C29H38N6O
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| Molecular Weight |
486.664
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)C1CCc2nc(N)ncc2C1
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| InChI |
InChI=1S/C29H38N6O/c1-2-12-34(26-10-11-28-24(19-26)21-31-29(30)32-28)16-13-33-14-17-35(18-15-33)25-8-6-22(7-9-25)23-4-3-5-27(36)20-23/h3-9,20-21,26,36H,2,10-19H2,1H3,(H2,30,31,32)
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| InChIKey |
WWGOQPRTIDCRKZ-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor