General Information of the Compound
| Compound ID |
CP0061777
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| Compound Name |
(1,3-dioxoisoindol-2-yl) 4-ethylbenzenesulfonate
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| Structure |
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| Formula |
C16H13NO5S
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| Molecular Weight |
331.349
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C16H13NO5S/c1-2-11-7-9-12(10-8-11)23(20,21)22-17-15(18)13-5-3-4-6-14(13)16(17)19/h3-10H,2H2,1H3
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| InChIKey |
WMUDFPAGXJKHJO-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
Protein ID: PT06109, Geminin
Protein ID: PT02378, Vitamin D3 receptor