General Information of the Compound
Compound ID
CP0377234
Compound Name
N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
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Structure
Formula
C14H12ClFN2
Molecular Weight
262.715
Canonical SMILES
NC(=NCc1cccc(Cl)c1)c1cccc(F)c1
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InChI
InChI=1S/C14H12ClFN2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)
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InChIKey
KUUAHIACBPTHSB-UHFFFAOYSA-N
Physicochemical Property
logP
3.3846
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
38.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 20706457
ChEMBL ID
CHEMBL351010
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: PT02751, Glutamate receptor ionotropic, NMDA 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
Ki = 2000 nM
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