Prx-08066
(E)-but-2-enedioic acid;5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-2-fluorobenzonitrile
Molecular Identity
Prx-08066
(E)-but-2-enedioic acid;5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-2-fluorobenzonitrile
PubChem CID: 76972919
2D Structure
Properties
C23H21ClFN5O4S
Molecular Formula
518.00
Molecular Weight
g/mol
517.0987
Exact Mass
Da
168
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
670
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCC1NC2=C3C=C(SC3=NC=N2)Cl)CC4=CC(=C(C=C4)F)C#N.C(=CC(=O)O)C(=O)OIsomeric SMILES
SMILES: C1CN(CCC1NC2=C3C=C(SC3=NC=N2)Cl)CC4=CC(=C(C=C4)F)C#N.C(=C/C(=O)O)\C(=O)OSynonyms(15)
92E9B7675Y5-((4-(6-CHLOROTHIENO(2,3-D)PYRIMIDINE-4-YLAMINO)PIPERIDIN-1-YL)METHYL)-2-FLUOROBENZONITRILE MONOFUMURATE(2E)-but-2-enedioic acid; 5-((4-((6-chlorothieno(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-2-fluorobenzonitrile(2E)-but-2-enedioic acid; 5-{[4-({6-chlorothieno[2,3-d]pyrimidin-4-yl}amino)piperidin-1-yl]methyl}-2-fluorobenzonitrileRefChem:176773PRX08066PRX 08066Prx-080665-((4-((6-chlorothieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-2-fluorobenzonitrile fumarateBenzonitrile,5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluoro-, (2Z)-2-butenedioate (1:1)CHEMBL4297322PRX-8066DB05607Q272714972411641-90-0
Data from PubChem (NCBI)
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Drug Network
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