General Information of the Compound
| Compound ID |
CP0056588
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| Compound Name |
3-(3,4-dimethoxyphenyl)-5-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C21H21N5O4S
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| Molecular Weight |
439.497
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| Canonical SMILES |
COc1ccc(cc1)-n1c(C)nnc1SCc1nc(no1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C21H21N5O4S/c1-13-23-24-21(26(13)15-6-8-16(27-2)9-7-15)31-12-19-22-20(25-30-19)14-5-10-17(28-3)18(11-14)29-4/h5-11H,12H2,1-4H3
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| InChIKey |
HQPRJYQZDYZZOA-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: PT06089, Axin-2
Protein ID: PT05750, Protein Wnt-3a