General Information of the Compound
| Compound ID |
CP0476704
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| Compound Name |
3-[[4-[1-(5-phenylpyrimidin-2-yl)oxypentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C25H27N3O4
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| Molecular Weight |
433.508
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| Canonical SMILES |
CCCCC(Oc1ncc(cn1)-c1ccccc1)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C25H27N3O4/c1-2-3-9-22(19-10-12-20(13-11-19)24(31)26-15-14-23(29)30)32-25-27-16-21(17-28-25)18-7-5-4-6-8-18/h4-8,10-13,16-17,22H,2-3,9,14-15H2,1H3,(H,26,31)(H,29,30)
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| InChIKey |
NDQMRELOMFIYCD-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