General Information of the Compound
| Compound ID |
CP0514613
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| Compound Name |
3-{5-[(4- chlorophenyl) methyl]-1,3,4- oxadiazol-2-yl}-6- cyclopropyl-5-(2,6- dimethoxyphenyl) pyridine-2,4-diol
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| Structure |
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| Formula |
C25H22ClN3O5
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| Molecular Weight |
479.92
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| Canonical SMILES |
COc1cccc(OC)c1-c1c(O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)nc1C1CC1
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| InChI |
InChI=1S/C25H22ClN3O5/c1-32-16-4-3-5-17(33-2)19(16)20-22(14-8-9-14)27-24(31)21(23(20)30)25-29-28-18(34-25)12-13-6-10-15(26)11-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H2,27,30,31)
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| InChIKey |
OAWCDZDNMBSGLG-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: PT05078, Apelin receptor
Protein ID: PT06297, Apelin receptor