General Information of the Compound
| Compound ID |
CP0293758
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| Compound Name |
(+/-)-4-[5-(4-Fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1Hpyrazol-3-yl]phenol
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| Structure |
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| Formula |
C21H16FN3O3
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| Molecular Weight |
377.375
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| Canonical SMILES |
Oc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H16FN3O3/c22-16-5-1-15(2-6-16)21-13-20(14-3-11-19(26)12-4-14)23-24(21)17-7-9-18(10-8-17)25(27)28/h1-12,21,26H,13H2
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| InChIKey |
HPYCSMRZVJTSRQ-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