General Information of the Compound
| Compound ID |
CP0908895
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| Compound Name |
SID103162580
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| Structure |
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| Formula |
C17H18N2O7S
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| Molecular Weight |
394.405
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| Canonical SMILES |
O=C(COC(=O)c1ccco1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
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| InChI |
InChI=1S/C17H18N2O7S/c20-16(12-26-17(21)15-5-2-8-25-15)18-13-3-1-4-14(11-13)27(22,23)19-6-9-24-10-7-19/h1-5,8,11H,6-7,9-10,12H2,(H,18,20)
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| InChIKey |
KMQKSEVLYZKNHV-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