General Information of the Compound
| Compound ID |
CP0849405
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| Compound Name |
N-(4-Cyano-phenyl)-2-[4-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide hydrochloride
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| Structure |
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| Formula |
C22H23ClN4O3
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| Molecular Weight |
426.904
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| Canonical SMILES |
Cl.N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1
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| InChI |
InChI=1S/C22H22N4O3.ClH/c23-13-16-5-7-18(8-6-16)24-21(27)14-25-11-9-19(10-12-25)26-20-4-2-1-3-17(20)15-29-22(26)28;/h1-8,19H,9-12,14-15H2,(H,24,27);1H
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| InChIKey |
PTOPSNVWGBRWQY-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