General Information of the Compound
| Compound ID |
CP0406039
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| Compound Name |
(+/-)-4-{1-[4-(Ethoxycarbonyl)phenyl]-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}benzoic Acid
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| Structure |
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| Formula |
C25H21FN2O4
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| Molecular Weight |
432.451
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H21FN2O4/c1-2-32-25(31)19-9-13-21(14-10-19)28-23(17-7-11-20(26)12-8-17)15-22(27-28)16-3-5-18(6-4-16)24(29)30/h3-14,23H,2,15H2,1H3,(H,29,30)
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| InChIKey |
WJMVKHRLFFCIHD-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