General Information of the Compound
| Compound ID |
CP0056599
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| Compound Name |
3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C24H20N6O3S
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| Molecular Weight |
472.53
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| Canonical SMILES |
COc1ccc(cc1)-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(OC)cc2)n1
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| InChI |
InChI=1S/C24H20N6O3S/c1-31-19-7-3-16(4-8-19)22-26-21(33-29-22)15-34-24-28-27-23(17-11-13-25-14-12-17)30(24)18-5-9-20(32-2)10-6-18/h3-14H,15H2,1-2H3
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| InChIKey |
ZMGPDWHTUMUFPT-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