General Information of the Compound
| Compound ID |
CP0109071
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| Compound Name |
benzyl N-[(3R)-3-[[4-[(3,5-dibromophenyl)methoxy]phenyl]sulfonylamino]-4-(hydroxyamino)-4-oxobutyl]carbamate
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| Structure |
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| Formula |
C25H25Br2N3O7S
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| Molecular Weight |
671.364
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| Canonical SMILES |
ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
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| InChI |
InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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| InChIKey |
TZCXUSWHXSLZNB-HSZRJFAPSA-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