COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL332996
Chemical Name: dimethyl2-{[(2-bromo-3,4,5-trimethoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Smiles: COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)c1cc(OC)c(c(c1Br)OC)OC

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Molecular Weight: 528.38
Empirical Formula: C21H22BrNO8S

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 4.634
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 137
Number of rings: 3

     

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