General Information of the Compound
| Compound ID |
CP0441465
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| Compound Name |
7-(3,5-Difluorophenyl)-5,5-dimethyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-thione
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| Structure |
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| Formula |
C17H15F2NOS
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| Molecular Weight |
319.376
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| Canonical SMILES |
CC1(C)OCC(=S)Nc2ccc(cc12)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C17H15F2NOS/c1-17(2)14-7-10(11-5-12(18)8-13(19)6-11)3-4-15(14)20-16(22)9-21-17/h3-8H,9H2,1-2H3,(H,20,22)
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| InChIKey |
WBQIRTDPYKHPNA-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