General Information of the Compound
| Compound ID |
CP0393325
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| Compound Name |
7-(4-p-Tolyl-piperidin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
Cc1ccc(cc1)C1CCN(Cc2ccc3NC(=O)COc3c2)CC1
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| InChI |
InChI=1S/C21H24N2O2/c1-15-2-5-17(6-3-15)18-8-10-23(11-9-18)13-16-4-7-19-20(12-16)25-14-21(24)22-19/h2-7,12,18H,8-11,13-14H2,1H3,(H,22,24)
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| InChIKey |
YRTKLZDQSKUCQM-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