General Information of the Compound
| Compound ID |
CP0072521
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| Compound Name |
3-[[[2-(hydroxyamino)-2-oxoethyl]-(4-methoxyphenyl)sulfonylamino]methyl]benzoic acid
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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 |
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C17H18N2O7S/c1-26-14-5-7-15(8-6-14)27(24,25)19(11-16(20)18-23)10-12-3-2-4-13(9-12)17(21)22/h2-9,23H,10-11H2,1H3,(H,18,20)(H,21,22)
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| InChIKey |
YBQPTPBTTDQLMD-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: PT00842, 72 kDa type IV collagenase
Protein ID: PT01276, Collagenase 3
Protein ID: PT00847, Disintegrin and metalloproteinase domain-containing protein 10
Protein ID: PT01058, Disintegrin and metalloproteinase domain-containing protein 17
Protein ID: PT00849, Matrix metalloproteinase-9
Protein ID: PT05333, Meprin A subunit alpha