D3S-001
2-[(2S)-4-[(7S)-7-[3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl]-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
Molecular Identity
D3S-001
2-[(2S)-4-[(7S)-7-[3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl]-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
PubChem CID: 167251905
2D Structure
Properties
C32H35F6N7O3
Molecular Formula
679.70
Molecular Weight
g/mol
679.2706
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
15
H-Bond Acceptors
1250
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
D3S-001ElisrasibPFW9YLB86H2706637-43-4RefChem:1082942KRAS G12C Inhibitor D3S-001D3S001D3S 0012914919-85-82-Piperazineacetonitrile, 4-[(7S)-7-[3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl]-2-[[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoro-1-oxo-2-propen-1-yl)-, (2S)-elisrasib [INN]orb2663913CHEMBL5314913SCHEMBL24780932EX-A8485
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to D3S-001
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