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Chemical structure of cGAS-IN-2

GC71470

cGAS-IN-2

Also known as 1-[(1S,3R)-6,7-dichloro-1,3-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone

cGAS-IN-2 (compound 109) is a potent inhibitor of Cyclic GMP-AMP Synthase (cGAS), with IC50 of 0·01512 μM for h-cGAS

ChemicalCAS2765273-11-6MW341.23FormulaC16H18Cl2N2O2
CAS number
2765273-11-6
Molecular weight
341.23
Formula
C16H18Cl2N2O2
InChIKey
DSDHEJULZLPMMU-BDAKNGLRSA-N
Catalogue number
GC71470
Brand
GLPBIO
Computed properties PubChem CID 171034419 · XLogP 3.4 · TPSA 45.3 Ų · H-bond donors 1
XLogP
3.4
TPSA
45.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22

SMILES C[C@@H]1CC2=C([C@@H](N1C(=O)COC)C)C3=C(N2)C(=C(C=C3)Cl)Cl

Computed descriptors from PubChem (CID 171034419), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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