General Information of the Compound
| Compound ID |
CP0897004
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| Compound Name |
(R)-5-(1,1-dioxido-2,3-dihydrobenzo[d]isothiazol-6-yl)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)furan-2-carboxamide
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| Structure |
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| Formula |
C22H28N4O7S
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| Molecular Weight |
492.554
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2ccc3c(c2)S(=O)(=O)NC3)o1
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| InChI |
InChI=1S/C22H28N4O7S/c1-2-3-4-5-17(12-26(30)14-27)21(28)23-13-24-22(29)19-9-8-18(33-19)15-6-7-16-11-25-34(31,32)20(16)10-15/h6-10,14,17,25,30H,2-5,11-13H2,1H3,(H,23,28)(H,24,29)/t17-/m1/s1
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| InChIKey |
WOQDMTBWIJNPJW-QGZVFWFLSA-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: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2