General Information of the Compound
| Compound ID |
CP0876731
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| Compound Name |
N-(2-ethylphenyl)-N-((5-((4-methoxyphenylamino)methyl)-1,3,4-oxadiazol-2-yl)methyl)-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C26H28N4O4S
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| Molecular Weight |
492.601
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| Canonical SMILES |
CCc1ccccc1N(Cc1nnc(CNc2ccc(OC)cc2)o1)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C26H28N4O4S/c1-4-20-7-5-6-8-24(20)30(35(31,32)23-15-9-19(2)10-16-23)18-26-29-28-25(34-26)17-27-21-11-13-22(33-3)14-12-21/h5-16,27H,4,17-18H2,1-3H3
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| InChIKey |
SXDSYCYSUNKQBS-UHFFFAOYSA-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