General Information of the Compound
| Compound ID |
CP0201620
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| Compound Name |
2-(5-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid
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| Structure |
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| Formula |
C28H24N4O4
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| Molecular Weight |
480.524
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(cc1)-c1nn(nc1CC(O)=O)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C28H24N4O4/c1-19-24(29-28(36-19)21-8-4-2-5-9-21)16-17-35-23-14-12-20(13-15-23)27-25(18-26(33)34)30-32(31-27)22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,33,34)
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| InChIKey |
IAYVQXBDAKKDCF-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