General Information of the Compound
Compound ID
CP0285857
Compound Name
4-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
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Structure
Formula
C12H9FN2O2
Molecular Weight
232.214
Canonical SMILES
Fc1ccc(cc1)C(=O)N\N=C\c1ccco1
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InChI
InChI=1S/C12H9FN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h1-8H,(H,15,16)/b14-8+
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InChIKey
LHXRWWWWTVMWDS-RIYZIHGNSA-N
CAS
5272-80-0
Physicochemical Property
logP
2.1826
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
54.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 5331580
SID: 17435357
ChEMBL ID
CHEMBL2236735
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 > 107661.1688 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000018 HL-60 Homo sapiens (Human)  1
1
IC50 = 116274.0623 nM
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