General Information of the Compound
| Compound ID |
CP0404839
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| Compound Name |
2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C23H17F2N3O2
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| Molecular Weight |
405.404
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| Canonical SMILES |
OC(=O)Cc1cn(nc1-c1ccncc1)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H17F2N3O2/c24-19-5-1-16(2-6-19)23(17-3-7-20(25)8-4-17)28-14-18(13-21(29)30)22(27-28)15-9-11-26-12-10-15/h1-12,14,23H,13H2,(H,29,30)
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| InChIKey |
ZIVCNQCTWXONIK-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