General Information of the Compound
Compound ID
CP0455249
Compound Name
5-chloro-2-imino-1-phenylpyridine-3-carboxamide
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Structure
Formula
C12H10ClN3O
Molecular Weight
247.685
Canonical SMILES
NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=N
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InChI
InChI=1S/C12H10ClN3O/c13-8-6-10(12(15)17)11(14)16(7-8)9-4-2-1-3-5-9/h1-7,14H,(H2,15,17)
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InChIKey
YYKLGNMMVHVZKZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.70907
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
71.87
Hydrogen Bond Donor Count
2
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: 671623
ChEMBL ID
CHEMBL3797464
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: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 940 nM
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