COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396425
Chemical Name: 2-{(E)-[(5Z)-5-{[acetyl(phenyl)amino]methylidene}-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]methyl}-5-chloro-1,3-diethyl-1H-benzimidazol-3-ium
Smiles: CCn1/c(=C\c2[n+](CC)c3c(n2CC)ccc(c3)Cl)/s/c(=C\N(c2ccccc2)C(=O)C)/c1=O

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Saltdata: CIO4-
Molecular Weight: 496.05
Empirical Formula: C26H28ClN4O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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