General Information of the Compound
| Compound ID |
CP0445440
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| Compound Name |
4-(4-Benzyl-piperazin-1-yl)-7-bromo-1H-indole
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| Synonyms |
4-(4-Benzyl-piperazin-1-yl)-7-bromo-1H-indole
CHEMBL90476
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| Structure |
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| Formula |
C19H20BrN3
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| Molecular Weight |
370.294
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| Canonical SMILES |
Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12
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| InChI |
InChI=1S/C19H20BrN3/c20-17-6-7-18(16-8-9-21-19(16)17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2
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| InChIKey |
RBUDKKJLRVBPDA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound