General Information of the Compound
| Compound ID |
CP0457080
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| Compound Name |
3-[[(3-carboxyphenyl)sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C17H16N2O8S
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| Molecular Weight |
408.388
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| Canonical SMILES |
ONC(=O)CN(Cc1cccc(c1)C(O)=O)S(=O)(=O)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C17H16N2O8S/c20-15(18-25)10-19(9-11-3-1-4-12(7-11)16(21)22)28(26,27)14-6-2-5-13(8-14)17(23)24/h1-8,25H,9-10H2,(H,18,20)(H,21,22)(H,23,24)
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| InChIKey |
GIPQLXQKJNGLLA-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