General Information of the Compound
| Compound ID |
CP0461023
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| Compound Name |
5-(2,4-Bis-benzyloxy-phenyl)-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C24H20N2O4
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| Molecular Weight |
400.434
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| Canonical SMILES |
OC(=O)c1cc(n[nH]1)-c1ccc(OCc2ccccc2)cc1OCc1ccccc1
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| InChI |
InChI=1S/C24H20N2O4/c27-24(28)22-14-21(25-26-22)20-12-11-19(29-15-17-7-3-1-4-8-17)13-23(20)30-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26)(H,27,28)
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| InChIKey |
RIPJJEVBLRLKEN-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