COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445214
Chemical Name: diethyl2,2'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate)
Smiles: CCOC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)sc2c1CCCCC2

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Molecular Weight: 588.79
Empirical Formula: C30H40N2O6S2

Physical State: Dry powder
Available Amount: 772 mg

Lipinsky:
logP: 9.438
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 167
Number of rings: 4

     

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