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Chemical structure of TLR7 agonist 6

GC71215

TLR7 agonist 6

Also known as 16-amino-6-[4-[(cyclobutylamino)methyl]phenyl]-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,20-hexaen-19-one

TLR7 agonist 6 (compound IIb-19) is an TLR7 agonist with an EC50 value of 1·0 nM

ChemicalCAS2380231-86-5MW486.57FormulaC27H30N6O3
CAS number
2380231-86-5
Molecular weight
486.57
Formula
C27H30N6O3
InChIKey
ZECLFMPOPJHUCX-UHFFFAOYSA-N
Catalogue number
GC71215
Brand
GLPBIO
Computed properties PubChem CID 153355950 · XLogP 3.2 · TPSA 115 Ų · H-bond donors 3
XLogP
3.2
TPSA
115 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
36

SMILES C1CCOC2=NC(=C3C(=N2)N(CC4=CC(=C(C=C4)C5=CC=C(C=C5)CNC6CCC6)OC1)C(=O)N3)N

Computed descriptors from PubChem (CID 153355950), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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