General Information of the Compound
| Compound ID |
CP0514614
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| Compound Name |
3-{5-[(4- chlorophenyl) methyl]-1,3,4- oxadiazol- 2-yl}-5-(2,6- dimethoxyphenyl)- 6-(ethoxymethyl) pyridine-2,4-diol
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| Structure |
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| Formula |
C25H24ClN3O6
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| Molecular Weight |
497.935
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| Canonical SMILES |
CCOCc1nc(O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C25H24ClN3O6/c1-4-34-13-16-20(21-17(32-2)6-5-7-18(21)33-3)23(30)22(24(31)27-16)25-29-28-19(35-25)12-14-8-10-15(26)11-9-14/h5-11H,4,12-13H2,1-3H3,(H2,27,30,31)
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| InChIKey |
BJUUXADEGFYYEW-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