COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421801
Chemical Name: methyl2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCC(C2)C(CC)(C)C

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Molecular Weight: 455.58
Empirical Formula: C25H29NO5S

Physical State: Dry powder
Available Amount: 1217 mg

Lipinsky:
logP: 9.202
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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