General Information of the Compound
Compound ID |
CP0457350
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Compound Name |
3-[[4-[1-[5-(4-ethylphenyl)pyrimidin-2-yl]oxypentyl]benzoyl]amino]propanoic acid
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Structure |
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Formula |
C27H31N3O4
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Molecular Weight |
461.562
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Canonical SMILES |
CCCCC(Oc1ncc(cn1)-c1ccc(CC)cc1)c1ccc(cc1)C(=O)NCCC(O)=O
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InChI |
InChI=1S/C27H31N3O4/c1-3-5-6-24(21-11-13-22(14-12-21)26(33)28-16-15-25(31)32)34-27-29-17-23(18-30-27)20-9-7-19(4-2)8-10-20/h7-14,17-18,24H,3-6,15-16H2,1-2H3,(H,28,33)(H,31,32)
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InChIKey |
SDBJCCRJJRQLME-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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