COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444971
Chemical Name: dipropan-2-yl2,2'-[(1,5-dioxopentane-1,5-diyl)diimino]bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate)
Smiles: CC(OC(=O)c1c(NC(=O)CCCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)sc2c1CCCCC2)C

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Molecular Weight: 602.82
Empirical Formula: C31H42N2O6S2

Physical State: Dry powder
Available Amount: 564 mg

Lipinsky:
logP: 9.831
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 167
Number of rings: 4

     

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