General Information of the Compound
| Compound ID |
CP0522768
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| Compound Name |
3-(5-Ethyl-2-oxo-5-thien-3-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrile
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| Structure |
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| Formula |
C22H17FN2O2S
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| Molecular Weight |
392.455
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| Canonical SMILES |
CCC1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccsc1
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| InChI |
InChI=1S/C22H17FN2O2S/c1-2-22(17-5-6-28-13-17)19-10-15(3-4-20(19)25-21(26)12-27-22)16-7-14(11-24)8-18(23)9-16/h3-10,13H,2,12H2,1H3,(H,25,26)
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| InChIKey |
WTRBRWVNOOZMRV-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