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Chemical structure of PDIC-NC

GC91595

PDIC-NC

Also known as 11,14,22,26-tetrachloro-7,18-bis[2-(dimethylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone;dihydrochloride

PDIC-NC is an activator of stimulator of interferon genes (STING) and an anticancer agent

ChemicalCAS2633013-75-7MW743.3FormulaC32H24Cl4N4O4•2HCl
CAS number
2633013-75-7
Molecular weight
743.3
Formula
C32H24Cl4N4O4•2HCl
Solubility
Acetonitrile： Slightly soluble： 0·1–1 mg/ml,Methanol： Slightly soluble： 0·1–1 mg/ml
InChIKey
FFFBAHMNWCSWIN-UHFFFAOYSA-N
Catalogue number
GC91595
Brand
GLPBIO
Computed properties PubChem CID 172653111 · TPSA 81.2 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
81.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
46

SMILES CN(C)CCN1C(=O)C2=CC(=C3C4=C(C=C5C6=C4C(=C(C=C6C(=O)N(C5=O)CCN(C)C)Cl)C7=C(C=C(C2=C37)C1=O)Cl)Cl)Cl.Cl.Cl

Computed descriptors from PubChem (CID 172653111), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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