COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457007
Chemical Name: ethyl2-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ncccn2)sc2c1CCCCCC2

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Molecular Weight: 459.64
Empirical Formula: C22H29N5O2S2

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 6.435
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 130
Number of rings: 4

     

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