General Information of the Compound
Compound ID
CP0903737
Compound Name
2-fluoro-N-(2-(2-morpholinoethylcarbamoyl)phenyl)benzamide
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Structure
Formula
C20H22FN3O3
Molecular Weight
371.412
Canonical SMILES
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccccc1F
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InChI
InChI=1S/C20H22FN3O3/c21-17-7-3-1-5-15(17)20(26)23-18-8-4-2-6-16(18)19(25)22-9-10-24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,25)(H,23,26)
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InChIKey
QEEPXSHOUBCRGQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.14
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 24824960
ChEMBL ID
CHEMBL4558803
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 = 45.43 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 156.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 210.6 nM
   TI
   LI
   LO
   TS
3
IC50 = 385.5 nM
   TI
   LI
   LO
   TS