COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK441926
Chemical Name: methyl5-(dimethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc(c1C)C(=O)N(C)C

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Molecular Weight: 494.66
Empirical Formula: C21H26N4O4S3

Physical State: Dry powder
Available Amount: 412 mg

Lipinsky:
logP: 5.841
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 188
Number of rings: 3

     

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