Ocifisertib Fumarate
(E)-but-2-enedioic acid;(2'S,3R)-2'-[3-[(E)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
Molecular Identity
Ocifisertib Fumarate
(E)-but-2-enedioic acid;(2'S,3R)-2'-[3-[(E)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID: 91754527
2D Structure
Properties
C37H38N4O7
Molecular Formula
650.70
Molecular Weight
g/mol
650.2740
Exact Mass
Da
154
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
1060
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CC(O1)C)CC2=CC=C(C=C2)C=CC3=NNC4=C3C=CC(=C4)C5CC56C7=C(C=CC(=C7)OC)NC6=O.C(=CC(=O)O)C(=O)OIsomeric SMILES
SMILES: C[C@@H]1CN(C[C@@H](O1)C)CC2=CC=C(C=C2)/C=C/C3=NNC4=C3C=CC(=C4)[C@@H]5C[C@]56C7=C(C=CC(=C7)OC)NC6=O.C(=C/C(=O)O)\C(=O)OSynonyms(20)
Ocifisertib fumarateCFI-400945 fumarate09OB3E5QTDCFI-4009451616420-30-4Spiro(cyclopropane-1,3'-(3H)indol)-2'(1'H)-one, 2-(3-((1E)-2-(4-(((2R,6S)-2,6-dimethyl-4-morpholinyl)methyl)phenyl)ethenyl)-1H-indazol-6-yl)-5'-methoxy-, (1R,2S)-, (2E)-2-butenedioate (1:1)CFI 400945RefChem:124745CFI 400945 FumaratePLK4 Inhibitor CFI-400945 FumaratePolo-like Kinase 4 Inhibitor CFI-400945 Fumarate(1R,2S)-E-2-(3-(4-((CIS-2,6-DIMETHYLMORPHOLINO)METHYL)STYRYL)-1H-INDAZOL-6-YL)-5'-METHOXYSPIRO(CYCLOPROPANE-1,3'-INDOLIN)-2'-ONE FUMARATE SALTOcifisertib (fumarate)CFI 400945 [WHO-DD]UNII-09OB3E5QTD
Data from PubChem (NCBI)
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