General Information of the Compound
| Compound ID |
CP0081339
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| Compound Name |
(3S,4R)-3-N-hydroxy-1-N,3-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,3-dicarboxamide
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| Structure |
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| Formula |
C26H31N5O6S
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| Molecular Weight |
541.63
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| Canonical SMILES |
CNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@](C)(C1)C(=O)NO
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| InChI |
InChI=1S/C26H31N5O6S/c1-17-14-18(21-6-4-5-7-22(21)28-17)15-37-19-8-10-20(11-9-19)38(35,36)30-23-12-13-31(25(33)27-3)16-26(23,2)24(32)29-34/h4-11,14,23,30,34H,12-13,15-16H2,1-3H3,(H,27,33)(H,29,32)/t23-,26+/m1/s1
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| InChIKey |
MCKSCWWXOVOQMO-BVAGGSTKSA-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