COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK420457
Chemical Name: dimethyl2,2'-{sulfanediylbis[(1-oxopropane-3,1-diyl)imino]}bis(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)
Smiles: COC(=O)c1c(NC(=O)CCSCCC(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)sc2c1CCCCCC2

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Molecular Weight: 620.86
Empirical Formula: C30H40N2O6S3

Physical State: Dry powder
Available Amount: 524 mg

Lipinsky:
logP: 9.733
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 192
Number of rings: 4

     

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