General Information of the Compound
Compound ID
CP0004248
Compound Name
N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide
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Structure
Formula
C22H17N3O3
Molecular Weight
371.396
Canonical SMILES
CC(=O)N(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
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InChI
InChI=1S/C22H17N3O3/c1-14(26)25(16-10-6-3-7-11-16)20-13-18-17(21(27)24-22(18)28)12-19(20)23-15-8-4-2-5-9-15/h2-13,23H,1H3,(H,24,27,28)
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InChIKey
HLLXEUNKQFCLRG-UHFFFAOYSA-N
Physicochemical Property
logP
3.9984
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
78.51
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).

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PubChem ID
CID: 10361853
SID: 15375150
ChEMBL ID
CHEMBL268441
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 50000 nM