General Information of the Compound
| Compound ID |
CP0390037
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| Compound Name |
3-[[4-[1-[5-(4-phenoxyphenyl)pyrimidin-2-yl]oxypentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H31N3O5
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| Molecular Weight |
525.605
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| Canonical SMILES |
CCCCC(Oc1ncc(cn1)-c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C31H31N3O5/c1-2-3-9-28(23-10-12-24(13-11-23)30(37)32-19-18-29(35)36)39-31-33-20-25(21-34-31)22-14-16-27(17-15-22)38-26-7-5-4-6-8-26/h4-8,10-17,20-21,28H,2-3,9,18-19H2,1H3,(H,32,37)(H,35,36)
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| InChIKey |
JAZPUOYOVOBGIB-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