General Information of the Compound
| Compound ID |
CP0042881
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| Compound Name |
5-[5-tert-butyl-2-(3-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-fluorophenol
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| Structure |
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| Formula |
C19H20ClFN2O
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| Molecular Weight |
346.833
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| Canonical SMILES |
CC(C)(C)C1=NN(C(C1)c1ccc(F)c(O)c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H20ClFN2O/c1-19(2,3)18-11-16(12-7-8-15(21)17(24)9-12)23(22-18)14-6-4-5-13(20)10-14/h4-10,16,24H,11H2,1-3H3
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| InChIKey |
YKVBJUAOAMFYIU-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
Protein ID: PT01718, Nitric oxide synthase, inducible
Protein ID: PT00924, Protein kinase C zeta type