COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815955
Chemical Name: 4-[(4-butoxyphenyl)carbonyl]-5-[4-(hexyloxy)-3-methoxyphenyl]-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCOc1ccc(cc1OC)C1C(=C(C(=O)N1c1nnc(s1)SCc1ccc(cc1)C)O)C(=O)c1ccc(cc1)OCCCC

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Molecular Weight: 701.91
Empirical Formula: C38H43N3O6S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 10.507
Rotatable bonds: 15
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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