General Information of the Compound
| Compound ID |
CP0509914
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| Compound Name |
Benzoyl-(4-fluoro-phenyl)-thiocarbamic acid O-(2-phenoxy-ethyl) ester
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| Structure |
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| Formula |
C22H18FNO3S
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| Molecular Weight |
395.455
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| Canonical SMILES |
Fc1ccc(cc1)N(C(=S)OCCOc1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C22H18FNO3S/c23-18-11-13-19(14-12-18)24(21(25)17-7-3-1-4-8-17)22(28)27-16-15-26-20-9-5-2-6-10-20/h1-14H,15-16H2
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| InChIKey |
HGDXWFZOCDJBAX-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