COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816070
Chemical Name: methyl4-(3-[(4-butoxyphenyl)carbonyl]-4-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Smiles: CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(=O)OC)c1nnc(s1)SCc1ccc(cc1)C

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Molecular Weight: 629.76
Empirical Formula: C33H31N3O6S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 8.09
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 172
Number of rings: 5

     

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