General Information of the Compound
| Compound ID |
CP0380143
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| Compound Name |
4-bromo-N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]aniline
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| Structure |
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| Formula |
C22H27BrN4
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| Molecular Weight |
427.39
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| Canonical SMILES |
Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C22H27BrN4/c23-19-5-7-20(8-6-19)24-10-12-27-15-13-26(14-16-27)11-9-18-17-25-22-4-2-1-3-21(18)22/h1-8,17,24-25H,9-16H2
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| InChIKey |
MLPGCAWHLVVATJ-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor