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Chemical structure of ML-336

GC11348

ML-336

Also known as 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide

inhibit a VEEV-induced cytopathic effect

ChemicalCAS1613465-33-0MW367.4FormulaC19H21N5O3
CAS number
1613465-33-0
Molecular weight
367.4
Formula
C19H21N5O3
Solubility
≤0·2mg/ml in ethanol;10mg/ml in DMSO;20mg/ml in dimethyl formamide
InChIKey
DCAMTBFFNOHDAW-UHFFFAOYSA-N
Catalogue number
GC11348
Brand
GLPBIO
Computed properties PubChem CID 71301451 · XLogP 2.1 · TPSA 93.8 Ų · H-bond donors 1
XLogP
2.1
TPSA
93.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

SMILES CN1CCN(C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)C1)C

Computed descriptors from PubChem (CID 71301451), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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