General Information of the Compound
| Compound ID |
CP0409934
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| Compound Name |
6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
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| Structure |
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| Formula |
C19H21N3O2
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| Molecular Weight |
323.396
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| Canonical SMILES |
O=C1COc2ccc(CN3CCN(CC3)c3ccccc3)cc2N1
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| InChI |
InChI=1S/C19H21N3O2/c23-19-14-24-18-7-6-15(12-17(18)20-19)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)
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| InChIKey |
NFRIERLNKMVOKN-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