General Information of the Compound
Compound ID
CP0371718
Compound Name
4-Chloro-N-(pyridin-3-yl)benzamide
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Structure
Formula
C12H9ClN2O
Molecular Weight
232.67
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1cccnc1
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InChI
InChI=1S/C12H9ClN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
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InChIKey
BGSUATYDORXBCT-UHFFFAOYSA-N
Physicochemical Property
logP
2.9873
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 706178
SID: 115947643
ChEMBL ID
CHEMBL1645408
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10200 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 65 nM
   TI
   LI
   LO
   TS