COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816366
Chemical Name: 5-(4-butoxy-3-ethoxyphenyl)-4-[(4-butoxyphenyl)carbonyl]-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=C1C(=O)c1ccc(cc1)OCCCC)O

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Molecular Weight: 708.3
Empirical Formula: C36H38ClN3O6S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 10.11
Rotatable bonds: 14
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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