General Information of the Compound
| Compound ID |
CP0539579
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| Compound Name |
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C18H12F3N3O4
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| Molecular Weight |
391.305
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C18H12F3N3O4/c19-18(20,21)12-3-1-2-10(8-12)15(25)22-17-24-23-16(28-17)11-4-5-13-14(9-11)27-7-6-26-13/h1-5,8-9H,6-7H2,(H,22,24,25)
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| InChIKey |
ADGKILCWKIMWET-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