General Information of the Compound
| Compound ID |
CP0505793
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| Compound Name |
(+/-)-4,4'-[5-(4-Fluorophenyl)-4,5-dihydro-1H-pyrazole-1,3-diyl]-dibenzoic Acid
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| Structure |
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| Formula |
C23H17FN2O4
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| Molecular Weight |
404.397
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H17FN2O4/c24-18-9-5-15(6-10-18)21-13-20(14-1-3-16(4-2-14)22(27)28)25-26(21)19-11-7-17(8-12-19)23(29)30/h1-12,21H,13H2,(H,27,28)(H,29,30)
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| InChIKey |
RVYHOKLRSZIEPF-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