General Information of the Compound
| Compound ID |
CP0215047
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| Compound Name |
N-(3-chloro-4-cyanophenyl)-N'-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-3-methylpentanediamide
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| Structure |
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| Formula |
C24H25ClN4O4
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| Molecular Weight |
468.941
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| Canonical SMILES |
CCN1C(=O)C(C)Oc2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12
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| InChI |
InChI=1S/C24H25ClN4O4/c1-4-29-20-8-7-18(12-21(20)33-15(3)24(29)32)28-23(31)10-14(2)9-22(30)27-17-6-5-16(13-26)19(25)11-17/h5-8,11-12,14-15H,4,9-10H2,1-3H3,(H,27,30)(H,28,31)
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| InChIKey |
GQZQQEOBKGPFGK-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