General Information of the Compound
| Compound ID |
CP0116811
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| Compound Name |
5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-2,3-dimethoxy-benzamide
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| Structure |
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| Formula |
C23H28BrCl2N3O3
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| Molecular Weight |
545.305
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| Canonical SMILES |
COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
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| InChI |
InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
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| InChIKey |
RYXXRKZWJMNUEJ-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: PT01005, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor