General Information of the Compound
| Compound ID |
CP0551841
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| Compound Name |
3-{5-[(4- chlorophenyl) methyl]- 1,3,4-oxadiazol- 2-yl}-6- cyclopentyl-5-(2,6- dimethoxyphenyl) pyridine-2,4-diol
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| Structure |
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| Formula |
C27H26ClN3O5
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| Molecular Weight |
507.974
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| Canonical SMILES |
COc1cccc(OC)c1-c1c(O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)nc1C1CCCC1
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| InChI |
InChI=1S/C27H26ClN3O5/c1-34-18-8-5-9-19(35-2)21(18)22-24(16-6-3-4-7-16)29-26(33)23(25(22)32)27-31-30-20(36-27)14-15-10-12-17(28)13-11-15/h5,8-13,16H,3-4,6-7,14H2,1-2H3,(H2,29,32,33)
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| InChIKey |
YHFJZLGBRDYJKB-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