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Chemical structure of Caf1-IN-1

GC26646

Caf1-IN-1

Also known as 3-[3-(dimethylamino)propyl]-1-hydroxy-7-(2-phenylethyl)purine-2,6-dione

Caf1-IN-1 (Compound 8j) is inhibitor for ribonuclease Caf1 with an IC50 of 0·59 µM

ChemicalCAS1807775-88-7MW357.41FormulaC18H23N5O3
CAS number
1807775-88-7
Molecular weight
357.41
Formula
C18H23N5O3
Solubility
DMSO : 125 mg/mL (349·74 mM; Need ultrasonic)
InChIKey
ITTTVNWVCMFMMP-UHFFFAOYSA-N
Catalogue number
GC26646
Brand
GLPBIO
Computed properties PubChem CID 122189519 · XLogP 1.4 · TPSA 81.9 Ų · H-bond donors 1
XLogP
1.4
TPSA
81.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26

SMILES CN(C)CCCN1C2=C(C(=O)N(C1=O)O)N(C=N2)CCC3=CC=CC=C3

Computed descriptors from PubChem (CID 122189519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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