COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206185
Chemical Name: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl1,3-benzodioxole-5-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2

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Molecular Weight: 431.47
Empirical Formula: C21H21NO7S

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 5.381
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 128
Number of rings: 4

     

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