General Information of the Compound
| Compound ID |
CP0869968
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| Compound Name |
rac-4'-(4-(2-((2-Amino-4,5,6,7-tetrahydrobenzo[d]-thiazol-6-yl)(propyl)amino)ethyl)piperazin-1-yl)-[1,1'-biphenyl]-4-ol
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| Structure |
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| Formula |
C28H37N5OS
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| Molecular Weight |
491.705
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C28H37N5OS/c1-2-13-32(24-9-12-26-27(20-24)35-28(29)30-26)17-14-31-15-18-33(19-16-31)23-7-3-21(4-8-23)22-5-10-25(34)11-6-22/h3-8,10-11,24,34H,2,9,12-20H2,1H3,(H2,29,30)
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| InChIKey |
REXNUHWKUQIBGM-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