General Information of the Compound
| Compound ID |
CP0484794
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| Compound Name |
5-(5-methyl-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-7-yl)-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C15H13N3O2
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| Molecular Weight |
267.288
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| Canonical SMILES |
CC1OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
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| InChI |
InChI=1S/C15H13N3O2/c1-9-12-6-10(13-5-3-11(7-16)17-13)2-4-14(12)18-15(19)8-20-9/h2-6,9,17H,8H2,1H3,(H,18,19)
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| InChIKey |
FKGRMAJNZNSGCJ-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