General Information of the Compound
| Compound ID |
CP0401395
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| Compound Name |
7-(3-Chloro-4-fluorophenyl)-5-ethyl-5-thien-3-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one
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| Structure |
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| Formula |
C21H17ClFNO2S
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| Molecular Weight |
401.89
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| Canonical SMILES |
CCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1ccsc1
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| InChI |
InChI=1S/C21H17ClFNO2S/c1-2-21(15-7-8-27-12-15)16-9-13(14-3-5-18(23)17(22)10-14)4-6-19(16)24-20(25)11-26-21/h3-10,12H,2,11H2,1H3,(H,24,25)
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| InChIKey |
BIADWZCQGLJVOB-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