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Chemical structure of IDH1 Inhibitor 7-d2

GC73296

IDH1 Inhibitor 7-d2

Also known as (5S)-4,4-dideuterio-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one

IDH1 Inhibitor 7-d2 is the deuterium labeled IDH1 Inhibitor 7

ChemicalCAS2135309-51-0MW461.48FormulaC22H22D2F3N7O
CAS number
2135309-51-0
Molecular weight
461.48
Formula
C22H22D2F3N7O
Solubility
DMSO ： 100 mg/mL (216·69 mM; Need ultrasonic)
InChIKey
LVRDYDOHWFEBQG-RDMILJEOSA-N
Catalogue number
GC73296
Brand
GLPBIO
Computed properties PubChem CID 137440052 · XLogP 3.8 · TPSA 88 Ų · H-bond donors 2
XLogP
3.8
TPSA
88 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

SMILES [2H]C1([C@@H](N(C(=O)N1)C2=NC(=NC=C2)N[C@@H](C)C3=CN(C=N3)C4=CC=C(C=C4)C(F)(F)F)C(C)C)[2H]

Computed descriptors from PubChem (CID 137440052), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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