COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK719272
Chemical Name: (5Z)-5-{[(4-chloro-3-nitrophenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

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Molecular Weight: 450.86
Empirical Formula: C18H15ClN4O6S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.037
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 161
Number of rings: 3

     

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