General Information of the Compound
| Compound ID |
CP0375241
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| Compound Name |
MLS000062685
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| Structure |
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| Formula |
C15H16N2O5S
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| Molecular Weight |
336.369
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| Canonical SMILES |
O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccco1
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| InChI |
InChI=1S/C15H16N2O5S/c18-15(14-2-1-9-22-14)16-12-3-5-13(6-4-12)23(19,20)17-7-10-21-11-8-17/h1-6,9H,7-8,10-11H2,(H,16,18)
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| InChIKey |
LCBIHDXSZBHWBZ-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: PT06113, DNA damage-inducible transcript 3 protein
Protein ID: PT06096, X-box-binding protein 1