General Information of the Compound
| Compound ID |
CP0326045
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| Compound Name |
5-(4-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride
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| Structure |
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| Formula |
C18H21FO3S
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| Molecular Weight |
336.428
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| Canonical SMILES |
FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C18H21FO3S/c19-23(20,21)14-6-2-5-7-16-10-12-18(13-11-16)22-15-17-8-3-1-4-9-17/h1,3-4,8-13H,2,5-7,14-15H2
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| InChIKey |
XWMLTTOAYSGFCX-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