General Information of the Compound
| Compound ID |
CP0118610
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| Compound Name |
N-(3-chloro-4-cyanophenyl)-N'-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-3-methylpentanediamide
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| Structure |
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| Formula |
C23H23ClN4O4
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| Molecular Weight |
454.914
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| Canonical SMILES |
CCN1C(=O)COc2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12
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| InChI |
InChI=1S/C23H23ClN4O4/c1-3-28-19-7-6-17(11-20(19)32-13-23(28)31)27-22(30)9-14(2)8-21(29)26-16-5-4-15(12-25)18(24)10-16/h4-7,10-11,14H,3,8-9,13H2,1-2H3,(H,26,29)(H,27,30)
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| InChIKey |
MJGQNAOLSSWFQE-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