General Information of the Compound
| Compound ID |
CP0524813
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| Compound Name |
N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
CNC(=O)c1ccc(cc1)N1CCN(Cc2ccc3OC(C)C(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C22H26N4O3/c1-15-21(27)24-19-13-16(3-8-20(19)29-15)14-25-9-11-26(12-10-25)18-6-4-17(5-7-18)22(28)23-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)(H,24,27)
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| InChIKey |
WUMWUCZSMPMERM-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