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Chemical structure of PROT-IN-1

GC75535

PROT-IN-1

Also known as (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone

PROT-IN-1 (Compound 2) is a proline transporter (PROT) inhibitor (IC50: 1·48 μM)

ChemicalCAS329935-45-7MW342.43FormulaC23H22N2O
CAS number
329935-45-7
Molecular weight
342.43
Formula
C23H22N2O
Solubility
DMSO： 25 mg/mL (73·01 mM; Need ultrasonic)
InChIKey
VHYSKWYZIZGSJB-UHFFFAOYSA-N
Catalogue number
GC75535
Brand
GLPBIO
Computed properties PubChem CID 690945 · XLogP 4.6 · TPSA 23.6 Ų · H-bond donors 0
XLogP
4.6
TPSA
23.6 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
26

SMILES C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Computed descriptors from PubChem (CID 690945), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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