C1CC(CCC1C(=O)NC2=C(OC3=C2N=C(C=C3)C(=O)O)C(=O)NC4=NC=C(C=C4)Cl)N5CCOCC5=O
Nom: 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-5-carboxylic acid
SMILES: C1CC(CCC1C(=O)NC2=C(OC3=C2N=C(C=C3)C(=O)O)C(=O)NC4=NC=C(C=C4)Cl)N5CCOCC5=O

Molecular Processing

Molecular formula
C25H24ClN5O7
Molecular weight
541.95
Exact mass
541.1364
XLogP
3.18
TPSA
163.96
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
135.08

Supplementary Information

InChIKey: SJUOAVUTJBEKMX-UHFFFAOYSA-N
Synonymes
SCHEMBL2945559SCHEMBL2945560SJUOAVUTJBEKMX-CTYIDZIISA-N2-{[(5-Chloropyridin-2-yl)amino]carbonyl}-3-({[trans-4-(3-oxomorpholin-4-yl)cyclohexyl]carbonyl}amino)furo[3,2-b]pyridine-5-carboxylic acid
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→