Lenacapavir Pacfosacil
2-[2-[4-[[4-chloro-7-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-3-pyridinyl]-1-(2,2,2-trifluoroethyl)indazol-3-yl]-methylsulfonylamino]-2-methyl-4-oxobutan-2-yl]-5-methyl-3-phosphonooxyphenyl]acetic acid
Molecular Identity
Lenacapavir Pacfosacil
2-[2-[4-[[4-chloro-7-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-3-pyridinyl]-1-(2,2,2-trifluoroethyl)indazol-3-yl]-methylsulfonylamino]-2-methyl-4-oxobutan-2-yl]-5-methyl-3-phosphonooxyphenyl]acetic acid
PubChem CID: 168826121
2D Structure
Properties
C53H49ClF10N7O12PS2
Molecular Formula
1296.50
Molecular Weight
g/mol
1295.2147
Exact Mass
Da
7.3
XLogP
Above Lipinski threshold
287
TPSA
May have limited oral absorption
4
H-Bond Donors
25
H-Bond Acceptors
2880
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C(=C1)OP(=O)(O)O)C(C)(C)CC(=O)N(C2=NN(C3=C(C=CC(=C32)Cl)C4=C(N=C(C=C4)C#CC(C)(C)S(=O)(=O)C)C(CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C(C8CC8C7(F)F)C(=N6)C(F)(F)F)CC(F)(F)F)S(=O)(=O)C)CC(=O)OIsomeric SMILES
SMILES: CC1=CC(=C(C(=C1)OP(=O)(O)O)C(C)(C)CC(=O)N(C2=NN(C3=C(C=CC(=C32)Cl)C4=C(N=C(C=C4)C#CC(C)(C)S(=O)(=O)C)[C@H](CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C([C@H]8C[C@H]8C7(F)F)C(=N6)C(F)(F)F)CC(F)(F)F)S(=O)(=O)C)CC(=O)OSynonyms(8)
2937414-47-4Lenacapavir PacfosacilZX69MH84LBlenacapavir pacfosacil [INN]orb3136109SCHEMBL25684253SCHEMBL31179611T211724
Data from PubChem (NCBI)
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Trials and conditions connected to Lenacapavir Pacfosacil
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