COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385154
Chemical Name: 2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 539.49
Empirical Formula: C27H27BrN2O3S

Physical State: Dry powder
Available Amount: 606 mg

Lipinsky:
logP: 7.767
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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