General Information of the Compound
| Compound ID |
CP0913101
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| Compound Name |
rac-(4-(2-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)-(propyl)amino)ethyl)-piperazin-1-yl)(biphenyl-4-yl)-methanone
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| Structure |
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| Formula |
C29H37N5OS
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| Molecular Weight |
503.716
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| Canonical SMILES |
CCCN(CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C29H37N5OS/c1-2-14-33(25-12-13-26-27(21-25)36-29(30)31-26)18-15-32-16-19-34(20-17-32)28(35)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,30,31)
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| InChIKey |
STHBEDQEROPZSH-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