General Information of the Compound
| Compound ID |
CP0539581
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| Compound Name |
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
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| Structure |
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| Formula |
C20H17N3O4S
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| Molecular Weight |
395.44
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| Canonical SMILES |
CCOc1cccc2cc(oc12)-c1nnc(NC(=O)c2ccccc2SC)o1
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| InChI |
InChI=1S/C20H17N3O4S/c1-3-25-14-9-6-7-12-11-15(26-17(12)14)19-22-23-20(27-19)21-18(24)13-8-4-5-10-16(13)28-2/h4-11H,3H2,1-2H3,(H,21,23,24)
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| InChIKey |
PVOIJRNALSYQOA-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
Protein ID: PT06356, Adenylate cyclase type 1
Protein ID: PT06357, Adenylate cyclase type 8