Monzosertib
ethyl 4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]amino]furan-3-carboxylate
Molecular Identity
Monzosertib
ethyl 4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]amino]furan-3-carboxylate
PubChem CID: 136618371
2D Structure
Properties
C21H22F3N5O4
Molecular Formula
465.40
Molecular Weight
g/mol
465.1624
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
103
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
12
H-Bond Acceptors
757
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C1=C(OC(=C1O)C=C2C=NC3=C2C=CC=N3)NN4CCN(CC4)CC(F)(F)FIsomeric SMILES
SMILES: CCOC(=O)C1=C(OC(=C1O)/C=C/2\C=NC3=C2C=CC=N3)NN4CCN(CC4)CC(F)(F)FSynonyms(20)
AS-01411402057-88-8MonzosertibCHEMBL4868568AS0141ethyl 4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]amino]furan-3-carboxylateCdc7-IN-6monzosertib [INN]Monzosertib [WHO-DD]Cdc7-IN-6?HOY1L711NLPNT141SRA141SCHEMBL30789753PNT-141
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Monzosertib
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