General Information of the Compound
Compound ID
CP0468269
Compound Name
N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide
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Structure
Formula
C14H17ClFN3OSi
Molecular Weight
325.847
Canonical SMILES
Cc1c(n[nH]c1[Si](C)(C)C)C(=O)Nc1ccc(F)cc1Cl
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InChI
InChI=1S/C14H17ClFN3OSi/c1-8-12(18-19-14(8)21(2,3)4)13(20)17-11-6-5-9(16)7-10(11)15/h5-7H,1-4H3,(H,17,20)(H,18,19)
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InChIKey
SBRLGHCMEIRKKH-UHFFFAOYSA-N
Physicochemical Property
logP
3.30812
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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).

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PubChem ID
CID: 86619648
ChEMBL ID
CHEMBL3604145
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01052, Polyunsaturated fatty acid lipoxygenase ALOX15
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 672 nM
   TI
   LI
   LO
   TS
CL000461 L-1236 Homo sapiens (Human)  1
1
IC50 = 1330 nM
   TI
   LI
   LO
   TS