Encorafenib
methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
Molecular Identity
Encorafenib
methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
PubChem CID: 50922675
2D Structure
Properties
C22H27ClFN7O4S
Molecular Formula
540.00
Molecular Weight
g/mol
539.1518
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
149
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
836
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N1C=C(C(=N1)C2=C(C(=CC(=C2)Cl)NS(=O)(=O)C)F)C3=NC(=NC=C3)NCC(C)NC(=O)OCIsomeric SMILES
SMILES: C[C@@H](CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C)NC(=O)OCSynonyms(20)
Encorafenib1269440-17-6LGX818LGX-818BraftoviLGX 818NVP-LGX818NVP-LGX818-NXANVP-LGX-818-NXAmethyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate8L7891MRB6DTXSID00155347Methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamateencorafenibummethyl N-((2S)-1-((4-(3-(5-chloro-2-fluoro-3-(methanesulfonamido)phenyl)-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate
Data from PubChem (NCBI)
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