General Information of the Compound
| Compound ID |
CP0068576
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| Compound Name |
(1S,2R,3S,4R)-N-hydroxy-3-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
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| Structure |
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| Formula |
C25H27N3O6S
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| Molecular Weight |
497.573
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| Canonical SMILES |
CN([C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
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| InChI |
InChI=1S/C25H27N3O6S/c1-15-13-16(19-5-3-4-6-20(19)26-15)14-33-17-7-9-18(10-8-17)35(31,32)28(2)24-22-12-11-21(34-22)23(24)25(29)27-30/h3-10,13,21-24,30H,11-12,14H2,1-2H3,(H,27,29)/t21-,22+,23-,24+/m0/s1
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| InChIKey |
WQWVTFKKGIYLJY-UARRHKHWSA-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