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Chemical structure of MMV019313

GC74900

MMV019313

Also known as N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

MMV019313 is a potent, non-bisphosphonate inhibitor of farnesyl/geranylgeranyl diphosphate synthase (FPPS/GGPPS) with an IC50 of 0·82 ?M

ChemicalCAS902630-14-2MW397.53FormulaC22H27N3O2S
CAS number
902630-14-2
Molecular weight
397.53
Formula
C22H27N3O2S
Solubility
DMSO： 4 mg/mL (10·06 mM; Need ultrasonic and warming)
InChIKey
NVFMMXVDSJFVNO-UHFFFAOYSA-N
Catalogue number
GC74900
Brand
GLPBIO
Computed properties PubChem CID 20857481 · XLogP 3.6 · TPSA 80.9 Ų · H-bond donors 1
XLogP
3.6
TPSA
80.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

SMILES CN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCCN4CCCCCC4

Computed descriptors from PubChem (CID 20857481), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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