General Information of the Compound
| Compound ID |
CP0469778
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| Compound Name |
3-[[2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]amino]propanoic acid
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| Structure |
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| Formula |
C25H26N4O5
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| Molecular Weight |
462.506
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| Canonical SMILES |
CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CNCCC(O)=O
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| InChI |
InChI=1S/C25H26N4O5/c1-2-6-19-22(28-33-23(19)17-7-4-3-5-8-17)25-27-24(29-34-25)18-11-9-16(10-12-18)20(30)15-26-14-13-21(31)32/h3-5,7-12,20,26,30H,2,6,13-15H2,1H3,(H,31,32)
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| InChIKey |
JBVFAFKPHVNVMK-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