CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=CSC5=C4C(=NC=C5C(=O)O)N)OC
Nom: 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid
SMILES: CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=CSC5=C4C(=NC=C5C(=O)O)N)OC

Molecular Processing

Molecular formula
C25H20N4O4S
Molecular weight
472.53
Exact mass
472.1205
XLogP
5
TPSA
119.47
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.08
Molar refractivity
133.85

Supplementary Information

InChIKey: MWJFNVFDZCFPPL-UHFFFAOYSA-N
Synonymes
CHEMBL392904SCHEMBL3526665MWJFNVFDZCFPPL-UHFFFAOYSA-NBDBM502027474-amino-3-(3-methoxy-4-(1-methyl-1H-indole-2-carboxamido)phenyl)thieno[3,2-c]pyridine-7-carboxylic acid4-amino-3-(3-methoxy-4-{[(1-methyl-1H-indol-2-yl)carbonyl]amino}phenyl)thieno[3,2-c]pyridine-7-carboxylic acid
Voir la source →
Impliqué dans 10 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→