Ibcasertib
N-(2-aminophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
Molecular Identity
Ibcasertib
N-(2-aminophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID: 49779393
2D Structure
Properties
C27H21N3O3
Molecular Formula
435.50
Molecular Weight
g/mol
435.1583
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
86.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
661
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC2=NC=CC(=C2C=C1)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=CC=C5NIsomeric SMILES
SMILES: COC1=CC2=NC=CC(=C2C=C1)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=CC=C5NSynonyms(20)
Chiauranib1256349-48-0ibcasertibCS2164CS-2164N-(2-aminophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamideF40IRN5981N-(2-Aminophenyl)-6-((7-methoxyquinolin-4-yl)oxy)-1-naphthamideRefChem:125167N-(2-Aminophenyl)-6-[(7-methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamideCHIAURANIB [WHO-DD]EX-A6106AS-84740CS-00868151-Naphthalenecarboxamide, N-(2-aminophenyl)-6-[(7-methoxy-4-quinolinyl)oxy]-
Data from PubChem (NCBI)
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