COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446442
Chemical Name: ethyl2-({[4-(4-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ccc(cc2)O)sc2c1CCCCCC2

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Molecular Weight: 473.66
Empirical Formula: C24H31N3O3S2

Physical State: Dry powder
Available Amount: 462 mg

Lipinsky:
logP: 6.261
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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