General Information of the Compound
| Compound ID |
CP0117641
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| Compound Name |
5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C29H25N3O4
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| Molecular Weight |
479.536
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(Cc2c(cnn2-c2ccccc2)C(O)=O)c1)-c1ccccc1
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| InChI |
InChI=1S/C29H25N3O4/c1-20-26(31-28(36-20)22-10-4-2-5-11-22)15-16-35-24-14-8-9-21(17-24)18-27-25(29(33)34)19-30-32(27)23-12-6-3-7-13-23/h2-14,17,19H,15-16,18H2,1H3,(H,33,34)
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| InChIKey |
QLSURSTUZJVSGU-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