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Chemical structure of (s)-PF-4136309

GC75155

(s)-PF-4136309

Also known as N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-yl-2-pyridinyl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide

(s)-PF-4136309 is the isomer of PF-4136309 , and can be used as an experimental control

ChemicalCAS1372407-07-2MW568.59FormulaC29H31F3N6O3
CAS number
1372407-07-2
Molecular weight
568.59
Formula
C29H31F3N6O3
Solubility
DMSO： ≥ 50 mg/mL (87·94 mM)
InChIKey
ZNSVOHSYDRPBGI-CBQRAPNFSA-N
Catalogue number
GC75155
Brand
GLPBIO
Computed properties PubChem CID 11192346 · XLogP 2.2 · TPSA 120 Ų · H-bond donors 3
XLogP
2.2
TPSA
120 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
41

SMILES C1CN(C[C@H]1NC2CCC(CC2)(C3=NC=C(C=C3)C4=NC=CC=N4)O)C(=O)CNC(=O)C5=CC(=CC=C5)C(F)(F)F

Computed descriptors from PubChem (CID 11192346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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