General Information of the Compound
| Compound ID |
CP0504999
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| Compound Name |
4-Bromo-2-[4-(4-phenyl-piperazin-1-ylmethyl)-oxazol-2-yl]-phenol
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| Structure |
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| Formula |
C20H20BrN3O2
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| Molecular Weight |
414.303
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| Canonical SMILES |
Oc1ccc(Br)cc1-c1nc(CN2CCN(CC2)c2ccccc2)co1
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| InChI |
InChI=1S/C20H20BrN3O2/c21-15-6-7-19(25)18(12-15)20-22-16(14-26-20)13-23-8-10-24(11-9-23)17-4-2-1-3-5-17/h1-7,12,14,25H,8-11,13H2
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| InChIKey |
RXGOETNYBNUSSO-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