COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525548
Chemical Name: ethyl5-butyl-1-{[(E)-ethoxymethylidene]amino}-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Smiles: CCCCc1nc2sc(c(c2c2c1CCCC2)/N=C/OCC)C(=O)OCC

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Molecular Weight: 388.53
Empirical Formula: C21H28N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.683
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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