COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111140
Chemical Name: [(5E)-5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/SC(=O)N(C1=O)CC(=O)O

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Molecular Weight: 441.53
Empirical Formula: C21H19N3O4S2

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 4.59
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 156
Number of rings: 4

     

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