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Chemical structure of (R)-BI-2852

GC72968

(R)-BI-2852

Also known as (3R)-5-hydroxy-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1H-indol-3-yl]-2,3-dihydroisoindol-1-one

(R)-BI-2852 is the isomer of BI-2852 , and can be used as an experimental control

ChemicalCAS2375482-49-6MW516.59FormulaC31H28N6O2
CAS number
2375482-49-6
Molecular weight
516.59
Formula
C31H28N6O2
Solubility
DMSO ： 55 mg/mL (106·47 mM; Need ultrasonic)
InChIKey
JYEQLXOWWLNVDX-SSEXGKCCSA-N
Catalogue number
GC72968
Brand
GLPBIO
Computed properties PubChem CID 146167995 · XLogP 2.9 · TPSA 99.9 Ų · H-bond donors 4
XLogP
2.9
TPSA
99.9 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
39

SMILES CN1C=C(N=C1)CN2C=CC3=C2C=C(C=C3)CNCC4=C(C5=CC=CC=C5N4)[C@H]6C7=C(C=CC(=C7)O)C(=O)N6

Computed descriptors from PubChem (CID 146167995), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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