General Information of the Compound
Compound ID
CP0903733
Compound Name
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
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Structure
Formula
C21H25N3O4
Molecular Weight
383.448
Canonical SMILES
COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1
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InChI
InChI=1S/C21H25N3O4/c1-27-17-8-6-16(7-9-17)20(25)23-19-5-3-2-4-18(19)21(26)22-10-11-24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,22,26)(H,23,25)
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InChIKey
PNZPFZJHVCAYFI-UHFFFAOYSA-N
Physicochemical Property
logP
2.0095
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 1316451
ChEMBL ID
CHEMBL1383390
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 = 6.97 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 61.7 nM
   TI
   LI
   LO
   TS