Gsk 2248761
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
Molecular Identity
Gsk 2248761
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
PubChem CID: 44232529
Fosdevirine is an indolecarboxamide.
2D Structure
Properties
C20H17ClN3O3P
Molecular Formula
413.80
Molecular Weight
g/mol
413.0696
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
721
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC)C=CC#NIsomeric SMILES
SMILES: CC1=CC(=CC(=C1)[P@](=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC)/C=C/C#NSynonyms(18)
GSK2248761GSK 22487611097733-15-7RefChem:9225265-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methoxyphosphoryl]-1H-indole-2-carboxamideFosdevirine (USAN/INN)SCHEMBL1035677CHEMBL2104968SCHEMBL29376155CHEBI:229854DTXSID501031227(R)-(methyl (2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoeth-1-en-1-yl)-5-methylphenyl]phosphinate)EBC-63076HY-14891CS-0003617
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gsk 2248761
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