General Information of the Compound
| Compound ID |
CP0561997
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-5-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C18H10F3N5O4
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| Molecular Weight |
417.303
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| Canonical SMILES |
FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OCOc2c1)-n1cncn1
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| InChI |
InChI=1S/C18H10F3N5O4/c19-18(20,21)30-11-2-3-13(26-8-22-7-23-26)12(6-11)17-25-24-16(29-17)10-1-4-14-15(5-10)28-9-27-14/h1-8H,9H2
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| InChIKey |
GQNNESSKEYKNOD-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