COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK436979
Chemical Name: methyl6-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc2c1CCC(C2)C

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Molecular Weight: 477.67
Empirical Formula: C22H27N3O3S3

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 8.077
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 168
Number of rings: 4

     

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