General Information of the Compound
| Compound ID |
CP0076614
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| Compound Name |
(S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-benzenesulfonyl]-thiomorpholine-3-carboxylic acid hydroxyamide
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| Structure |
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| Formula |
C22H28N2O8S2
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| Molecular Weight |
512.606
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| Canonical SMILES |
COc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc(OC)c1OC
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| InChI |
InChI=1S/C22H28N2O8S2/c1-22(2)20(21(25)23-26)24(10-11-33-22)34(27,28)16-8-6-14(7-9-16)32-15-12-17(29-3)19(31-5)18(13-15)30-4/h6-9,12-13,20,26H,10-11H2,1-5H3,(H,23,25)/t20-/m0/s1
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| InChIKey |
DCDJWNFOPNVBIM-FQEVSTJZSA-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