General Information of the Compound
| Compound ID |
CP0468497
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| Compound Name |
3-Fluoro-5-(2-oxo-5,5-dithien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)benzonitrile
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| Structure |
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| Formula |
C24H15FN2O2S2
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| Molecular Weight |
446.528
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| Canonical SMILES |
Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
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| InChI |
InChI=1S/C24H15FN2O2S2/c25-18-10-15(13-26)9-17(11-18)16-5-6-20-19(12-16)24(21-3-1-7-30-21,22-4-2-8-31-22)29-14-23(28)27-20/h1-12H,14H2,(H,27,28)
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| InChIKey |
HTRKFNDRDKEPJZ-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