General Information of the Compound
| Compound ID |
CP0416977
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| Compound Name |
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
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| Structure |
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| Formula |
C19H17N3O4
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| Molecular Weight |
351.362
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| Canonical SMILES |
Cc1ccc(cc1C)C(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C19H17N3O4/c1-11-3-4-13(9-12(11)2)17(23)20-19-22-21-18(26-19)14-5-6-15-16(10-14)25-8-7-24-15/h3-6,9-10H,7-8H2,1-2H3,(H,20,22,23)
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| InChIKey |
XGMCWHZROLBAAC-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