C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)OCC(=O)O)NC4=CC5=C(C=C4)NN=C5
CAS: 911417-62-4
Nombre: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]acetic acid
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)OCC(=O)O)NC4=CC5=C(C=C4)NN=C5

Molecular Processing

Molecular formula
C23H17N5O3
Molecular weight
411.42
Exact mass
411.1331
XLogP
4.38
TPSA
113.02
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.043
Molar refractivity
117.48

Supplementary Information

InChIKey: UHUDLFMBGUWKOR-UHFFFAOYSA-N
Sinónimos
911417-62-42-(3-(4-((1H-indazol-5-yl)amino)quinazolin-2-yl)phenoxy)acetic acidBelumosudil metabolite M24SQ6Q2M5KV2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]acetic acidAcetic acid, 2-[3-[4-(1H-indazol-5-ylamino)-2-quinazolinyl]phenoxy]-2-(3-(4-(1H-indazol-5-ylamino)quinazolin-2-yl)phenoxy)acetic acid2-[3-[4-(1H-Indazol-5-ylamino)-2-quinazolinyl]phenoxy]acetic acidAcetic acid, 2-(3-(4-(1H-indazol-5-ylamino)-2-quinazolinyl)phenoxy)-Belumosudil Impurity 12Besudil Impurity 2UNII-4SQ6Q2M5KVSCHEMBL877239SCHEMBL30743053UHUDLFMBGUWKOR-UHFFFAOYSA-NC23H17N5O3DTXSID501168094CS-M2493D77469(3-{4-[(1H-Indazol-5-yl)amino]quinazolin-2-yl}phenoxy)acetic acid2-(3-(4-((1H-indazol-5-yl)amino)quinazolin-2-yl)phenoxy)aceticacid
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