General Information of the Compound
| Compound ID |
CP0068572
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| Compound Name |
(S)-2,2-Dimethyl-4-[4-(pyridin-3-yloxy)-benzenesulfonyl]-thiomorpholine-3-carboxylic acid hydroxyamide
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| Structure |
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| Formula |
C18H21N3O5S2
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| Molecular Weight |
423.516
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| Canonical SMILES |
CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2cccnc2)cc1
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| InChI |
InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(10-11-27-18)28(24,25)15-7-5-13(6-8-15)26-14-4-3-9-19-12-14/h3-9,12,16,23H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
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| InChIKey |
YTRMRJDVKQXSIU-INIZCTEOSA-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