Molecules/5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine
5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl 3-[[3-(3-bromophenyl)benzoyl]amino]propyl hydrogen phosphate
Molecular Identity
5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl 3-[[3-(3-bromophenyl)benzoyl]amino]propyl hydrogen phosphate
PubChem CID: 168268178
2D Structure
Properties
C26H28BrN6O8P
Molecular Formula
663.40
Molecular Weight
g/mol
662.0890
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
200
TPSA
May have limited oral absorption
5
H-Bond Donors
10
H-Bond Acceptors
1060
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OCCCNC(=O)C4=CC=CC(=C4)C5=CC(=CC=C5)Br)OIsomeric SMILES
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OCCCNC(=O)C4=CC=CC(=C4)C5=CC(=CC=C5)Br)OSynonyms(6)
5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosineSAMHD1-IN-5aSAMHD1 dNTPase inhibitor 5aGLXC-27529((2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl (3-(3'-bromo-[1,1'-biphenyl]-3-carboxamido)propyl) hydrogen phosphate DIPEA saltYWI
Data from PubChem (NCBI)
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Molecular Structure
5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine
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Drug Network
Trials and conditions connected to 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine
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