COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385175
Chemical Name: 2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2

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Molecular Weight: 497.41
Empirical Formula: C24H21BrN2O3S

Physical State: Dry powder
Available Amount: 601 mg

Lipinsky:
logP: 6.611
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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