General Information of the Compound
Compound ID
CP0178424
Compound Name
4-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
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Structure
Formula
C14H11FN2O2
Molecular Weight
258.252
Canonical SMILES
Oc1ccc(\C=N\NC(=O)c2ccc(F)cc2)cc1
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InChI
InChI=1S/C14H11FN2O2/c15-12-5-3-11(4-6-12)14(19)17-16-9-10-1-7-13(18)8-2-10/h1-9,18H,(H,17,19)/b16-9+
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InChIKey
ZGEIOGOWYVXUQV-CXUHLZMHSA-N
Physicochemical Property
logP
2.2952
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
61.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 135504268
SID: 24740110
ChEMBL ID
CHEMBL2236982
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: PT01718, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 > 96805.4211 nM
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