General Information of the Compound
| Compound ID |
CP0082410
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| Compound Name |
2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(3-phenoxybenzyl)amino)acetic acid
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| Structure |
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| Formula |
C34H32N2O5
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| Molecular Weight |
548.639
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2cccc(Oc3ccccc3)c2)c1)-c1ccccc1
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| InChI |
InChI=1S/C34H32N2O5/c1-25-32(35-34(40-25)28-12-4-2-5-13-28)18-19-39-30-16-8-10-26(20-30)22-36(24-33(37)38)23-27-11-9-17-31(21-27)41-29-14-6-3-7-15-29/h2-17,20-21H,18-19,22-24H2,1H3,(H,37,38)
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| InChIKey |
HBRAVDOKKHPFKW-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