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Chemical structure of Olorofim

GC70238

Olorofim

Also known as 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide

Olorofim (F901318) selectively inhibits fungal dihydroorotate dehydrogenase (DHODH), a key enzyme in the pyrimidine biosynthesis pathway

ChemicalCAS1928707-56-5MW498.55FormulaC28H27FN6O2
CAS number
1928707-56-5
Molecular weight
498.55
Formula
C28H27FN6O2
Solubility
DMSO ： 100 mg/mL (200·58 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
SUFPWYYDCOKDLL-UHFFFAOYSA-N
Catalogue number
GC70238
Brand
GLPBIO
Computed properties PubChem CID 91885568 · XLogP 4.2 · TPSA 83.4 Ų · H-bond donors 1
XLogP
4.2
TPSA
83.4 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37

SMILES CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5

Computed descriptors from PubChem (CID 91885568), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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