General Information of the Compound
| Compound ID |
CP0376592
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| Compound Name |
6-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
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| Structure |
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| Formula |
C20H23N3O3
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| Molecular Weight |
353.422
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C20H23N3O3/c1-25-17-5-3-16(4-6-17)23-10-8-22(9-11-23)13-15-2-7-19-18(12-15)21-20(24)14-26-19/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)
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| InChIKey |
MOWGNBXIJRPPMR-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