General Information of the Compound
| Compound ID |
CP0062139
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| Compound Name |
(R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(hydroxyamino)-4-oxobutylcarbamate
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| Structure |
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| Formula |
C22H25N3O7S
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| Molecular Weight |
475.523
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| Canonical SMILES |
CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO
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| InChI |
InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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| InChIKey |
YAYGKNVDBLFWFW-HXUWFJFHSA-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: PT01058, Disintegrin and metalloproteinase domain-containing protein 17
Cell-based Assay