General Information of the Compound
| Compound ID |
CP0425956
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| Compound Name |
4-[3-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C23H25FN4O3
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| Molecular Weight |
424.476
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| Canonical SMILES |
Fc1cccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c12
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| InChI |
InChI=1S/C23H25FN4O3/c24-17-5-3-7-19-22(17)25-23(30)28(19)16-9-13-26(14-10-16)11-4-12-27-18-6-1-2-8-20(18)31-15-21(27)29/h1-3,5-8,16H,4,9-15H2,(H,25,30)
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| InChIKey |
LRXGBYNAHIRXGB-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2