COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472729
Chemical Name: methyl2-[({4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}carbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)S(=O)(=O)c2cc(C)ccc2C)sc2c1CCCCCC2

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Molecular Weight: 535.75
Empirical Formula: C25H33N3O4S3

Physical State: Dry powder
Available Amount: 421 mg

Lipinsky:
logP: 7.363
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 4

     

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