General Information of the Compound
Compound ID |
CP0118634
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Compound Name |
N-(3-chloro-4-cyanophenyl)-N'-(2,4-diethyl-3-oxo-1,4-benzoxazin-7-yl)-3-methylpentanediamide
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Structure |
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Formula |
C25H27ClN4O4
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Molecular Weight |
482.968
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Canonical SMILES |
CCC1Oc2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2N(CC)C1=O
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InChI |
InChI=1S/C25H27ClN4O4/c1-4-21-25(33)30(5-2)20-9-8-18(13-22(20)34-21)29-24(32)11-15(3)10-23(31)28-17-7-6-16(14-27)19(26)12-17/h6-9,12-13,15,21H,4-5,10-11H2,1-3H3,(H,28,31)(H,29,32)
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InChIKey |
MXBRMCOSYXPAHD-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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