Zeltociclib
(2S)-2-[[4-(7-dimethylphosphoryl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
Molecular Identity
Zeltociclib
(2S)-2-[[4-(7-dimethylphosphoryl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
PubChem CID: 167145227
2D Structure
Properties
C18H20F3N4O2P
Molecular Formula
412.30
Molecular Weight
g/mol
412.1276
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
90.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
588
Complexity
SMILES
Canonical SMILES
SMILES: CC(CO)NC1=NC=C(C(=N1)C2=CNC3=C2C=CC=C3P(=O)(C)C)C(F)(F)FIsomeric SMILES
SMILES: C[C@@H](CO)NC1=NC=C(C(=N1)C2=CNC3=C2C=CC=C3P(=O)(C)C)C(F)(F)FSynonyms(18)
Zeltociclib2789697-52-3(2S)-2-[[4-(7-dimethylphosphoryl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-olzeltociclib [INN]GTAEXS617GTAEXS-617K5Z6KA39LLorb2944458REC617SCHEMBL24588260GTPL13754REC-617Example 82 [WO2022134642A1]HY-172245T205641
Data from PubChem (NCBI)
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