COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192472
Chemical Name: 3-[(5E)-5-({1-[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoicacid
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)C(=O)O

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Molecular Weight: 577.68
Empirical Formula: C29H27N3O6S2

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 6.552
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 178
Number of rings: 5

     

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