Bms-830216
[(1R)-2-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] dihydrogen phosphate
Molecular Identity
Bms-830216
[(1R)-2-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] dihydrogen phosphate
PubChem CID: 44539266
2D Structure
Properties
C24H22ClN2O7PS
Molecular Formula
548.90
Molecular Weight
g/mol
548.0574
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
146
TPSA
May have limited oral absorption
2
H-Bond Donors
9
H-Bond Acceptors
865
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OCC(C5CC5)OP(=O)(O)OIsomeric SMILES
SMILES: COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OC[C@@H](C5CC5)OP(=O)(O)OSynonyms(20)
BMS-830216ISL723GVQ8UNII-ISL723GVQ86-(4-Chlorophenyl)-3-(4-((2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy)-3-methoxyphenyl)thieno(3,2-d)pyrimidin-4(3H)-oneThieno(3,2-d)pyrimidin-4(3H)-one, 6-(4-chlorophenyl)-3-(4-((2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy)-3-methoxyphenyl)-[(1R)-2-{4-[6-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy}-1-cyclopropylethoxy]phosphonic acid6-(4-Chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4(3H)-one((1R)-2-(4-(6-(4-chlorophenyl)-4-oxo-3H,4H-thieno(3,2-d)pyrimidin-3-yl)-2-methoxyphenoxy)-1-cyclopropylethoxy)phosphonic acidThieno[3,2-d]pyrimidin-4(3H)-one, 6-(4-chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]-RefChem:1207491197420-06-6(R)-2-(4-(6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-2-methoxyphenoxy)-1-cyclopropylethyl dihydrogen phosphateorb1738215SCHEMBL2278190CHEMBL2147475
Data from PubChem (NCBI)
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