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Chemical structure of BTYNB isomer

GB40132

BTYNB isomer

Also listed as BTYNB isomer - BTYNB IMP1 inhibitor isomer

Ring-closed isomer of BTYNB BTYNB· Investigated as potential angionesis inhibitor

ChemicalCAS1262217-87-7MW309.18FormulaC12H9BrN2OS
CAS number
1262217-87-7
Molecular weight
309.18
Formula
C12H9BrN2OS
InChIKey
PTORCHCLFMJDLP-UHFFFAOYSA-N
Catalogue number
GB40132
Brand
GLPBIO
Computed properties PubChem CID 51172467 · XLogP 3.3 · TPSA 69.4 Ų · H-bond donors 2
XLogP
3.3
TPSA
69.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

SMILES C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(S3)Br

Computed descriptors from PubChem (CID 51172467), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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