General Information of the Compound
| Compound ID |
CP0967238
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| Compound Name |
rac-N6-(2-(4-([1,1'-Biphenyl]-4-yl)piperazin-1-yl)-ethyl)-N6-propyl-5,6,7,8-tetrahydroquinazoline-2,6-diamine
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| Structure |
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| Formula |
C29H38N6
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| Molecular Weight |
470.665
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)ncc2C1
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| InChI |
InChI=1S/C29H38N6/c1-2-14-34(27-12-13-28-25(21-27)22-31-29(30)32-28)18-15-33-16-19-35(20-17-33)26-10-8-24(9-11-26)23-6-4-3-5-7-23/h3-11,22,27H,2,12-21H2,1H3,(H2,30,31,32)
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| InChIKey |
ZZHXEFFSUPBZMI-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