General Information of the Compound
| Compound ID |
CP0468498
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| Compound Name |
7-(3-Chloro-4-fluorophenyl)-5-isopropyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one
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| Structure |
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| Formula |
C22H19ClFNO2S
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| Molecular Weight |
415.917
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| Canonical SMILES |
CC(C)C1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1cccs1
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| InChI |
InChI=1S/C22H19ClFNO2S/c1-13(2)22(20-4-3-9-28-20)16-10-14(15-5-7-18(24)17(23)11-15)6-8-19(16)25-21(26)12-27-22/h3-11,13H,12H2,1-2H3,(H,25,26)
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| InChIKey |
HRSBVEZDEVRRFG-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