General Information of the Compound
| Compound ID |
CP0466306
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| Compound Name |
5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-1-ethyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C17H17N3O2
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| Molecular Weight |
295.342
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| Canonical SMILES |
CCn1c(ccc1-c1ccc2NC(=O)OC(C)(C)c2c1)C#N
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| InChI |
InChI=1S/C17H17N3O2/c1-4-20-12(10-18)6-8-15(20)11-5-7-14-13(9-11)17(2,3)22-16(21)19-14/h5-9H,4H2,1-3H3,(H,19,21)
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| InChIKey |
YIRFZHWBRXPHQF-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