Velsecorat
3-[5-[(1S,2R)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide
Molecular Identity
Velsecorat
3-[5-[(1S,2R)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide
PubChem CID: 139593415
2D Structure
Properties
C32H32F2N4O6
Molecular Formula
606.60
Molecular Weight
g/mol
606.2290
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)NC6CCOC6)NC(=O)C(C)(F)FIsomeric SMILES
SMILES: C[C@H]([C@H](C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)N[C@@H]6CCOC6)NC(=O)C(C)(F)FSynonyms(19)
AZD-7594P30N0911C2Benzamide, 3-(5-((1R,2S)-2-((2,2-difluoro-1-oxopropyl)amino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy)-1H-indazol-1-yl)-N-((3R)-tetrahydro-3-furanyl)-Azd 7594RefChem:1939073-(5-((1R,2S)-2-(2,2-difluoropropanamido)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy)-1H-indazol-1-yl)-N-((3R)-oxolan-3-yl)benzamide1196509-60-0Azd7594VelsecoratVelsecorat [INN]Velsecorat [USAN]AZD 7594 [WHO-DD]2138865-36-63-(5-((1S,2R)-2-(2,2-Difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1H-indazol-1-yl)-N-((R)-tetrahydrofuran-3-yl)benzamideVelsecorat [USAN:INN]
Data from PubChem (NCBI)
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