General Information of the Compound
Compound ID
CP0441537
Compound Name
Phenamazoline
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Structure
Formula
C10H13N3
Molecular Weight
175.235
Canonical SMILES
C(Nc1ccccc1)C1=NCCN1
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InChI
InChI=1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)
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InChIKey
FPZTYKLEJPXTKD-UHFFFAOYSA-N
Physicochemical Property
logP
1.1002
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
36.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 3084422
SID: 15364175
ChEMBL ID
CHEMBL13881
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 0.5012 nM
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