General Information of the Compound
| Compound ID |
CP0400147
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| Compound Name |
5-methoxy-2-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
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| Structure |
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| Formula |
C16H13N3O5S
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| Molecular Weight |
359.363
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| Canonical SMILES |
COc1ccc(-c2nnc(SCc3cccc(c3)[N+]([O-])=O)o2)c(O)c1
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| InChI |
InChI=1S/C16H13N3O5S/c1-23-12-5-6-13(14(20)8-12)15-17-18-16(24-15)25-9-10-3-2-4-11(7-10)19(21)22/h2-8,20H,9H2,1H3
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| InChIKey |
NTBVVOZCDZFZAP-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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform