General Information of the Compound
| Compound ID |
CP0401396
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| Compound Name |
3-Fluoro-5-(5-isopropyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)benzonitrile
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| Structure |
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| Formula |
C23H19FN2O2S
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| Molecular Weight |
406.482
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| Canonical SMILES |
CC(C)C1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1cccs1
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| InChI |
InChI=1S/C23H19FN2O2S/c1-14(2)23(21-4-3-7-29-21)19-11-16(5-6-20(19)26-22(27)13-28-23)17-8-15(12-25)9-18(24)10-17/h3-11,14H,13H2,1-2H3,(H,26,27)
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| InChIKey |
IJAYQVNFSRGSQX-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