General Information of the Compound
| Compound ID |
CP0551840
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| Compound Name |
6-butyl-3-{5-[(4- chlorophenyl) methyl]-1,3,4- oxadiazol- 2-yl}-5-(2,6- dimethoxyphenyl) pyridine-2,4-diol
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| Structure |
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| Formula |
C26H26ClN3O5
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| Molecular Weight |
495.963
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| Canonical SMILES |
CCCCc1nc(O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C26H26ClN3O5/c1-4-5-7-17-21(22-18(33-2)8-6-9-19(22)34-3)24(31)23(25(32)28-17)26-30-29-20(35-26)14-15-10-12-16(27)13-11-15/h6,8-13H,4-5,7,14H2,1-3H3,(H2,28,31,32)
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| InChIKey |
NUVQBRPJRQVFAK-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