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Chemical structure of MRT-83

GC33114

MRT-83

Also known as 3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide

MRT-83 is a potent antagonist of Smo, with an IC50 in the nanomolar range· MRT-83 also blocks Hedgehog (Hh) signaling

ChemicalCAS1263131-92-5MW538.59FormulaC31H30N4O5
CAS number
1263131-92-5
Molecular weight
538.59
Formula
C31H30N4O5
Solubility
Soluble in DMSO
InChIKey
BKTMNLKJWHVZRN-UHFFFAOYSA-N
Catalogue number
GC33114
Brand
GLPBIO
Computed properties PubChem CID 136210511 · XLogP 5.5 · TPSA 124 Ų · H-bond donors 3
XLogP
5.5
TPSA
124 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
40

SMILES CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Computed descriptors from PubChem (CID 136210511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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