General Information of the Compound
| Compound ID |
CP0486736
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| Compound Name |
7-(3-Chloro-4-fluorophenyl)-5,5-diphenyl-1,5-dihydro-4,1-benzoxazepin-2(H)-one
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| Structure |
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| Formula |
C27H19ClFNO2
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| Molecular Weight |
443.905
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| Canonical SMILES |
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3ccccc3)(c3ccccc3)c2c1
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| InChI |
InChI=1S/C27H19ClFNO2/c28-23-16-19(11-13-24(23)29)18-12-14-25-22(15-18)27(32-17-26(31)30-25,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-16H,17H2,(H,30,31)
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| InChIKey |
BTSKDVZNCCXZEP-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