General Information of the Compound
Compound ID
CP0903734
Compound Name
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylpropyl)benzamide
    Show/Hide
Structure
Formula
C21H24FN3O3
Molecular Weight
385.439
Canonical SMILES
O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1F
    Show/Hide
InChI
InChI=1S/C21H24FN3O3/c22-18-8-3-1-6-16(18)21(27)24-19-9-4-2-7-17(19)20(26)23-10-5-11-25-12-14-28-15-13-25/h1-4,6-9H,5,10-15H2,(H,23,26)(H,24,27)
    Show/Hide
InChIKey
MOHLHDFBECGAEQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5301
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 8781774
ChEMBL ID
CHEMBL4519964
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: PT07141, B-cell lymphoma 3 protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 15230 nM
   TI
   LI
   LO
   TS