General Information of the Compound
| Compound ID |
CP0082400
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| Compound Name |
2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(4-(benzyloxy)benzyl)amino)acetic acid
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| Structure |
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| Formula |
C35H34N2O5
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| Molecular Weight |
562.666
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc(OCc3ccccc3)cc2)c1)-c1ccccc1
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| InChI |
InChI=1S/C35H34N2O5/c1-26-33(36-35(42-26)30-12-6-3-7-13-30)19-20-40-32-14-8-11-29(21-32)23-37(24-34(38)39)22-27-15-17-31(18-16-27)41-25-28-9-4-2-5-10-28/h2-18,21H,19-20,22-25H2,1H3,(H,38,39)
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| InChIKey |
ATLVKBLXBQNFLD-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