COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815568
Chemical Name: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccnc1)c1nnc(s1)SCc1ccccc1

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Molecular Weight: 558.68
Empirical Formula: C29H26N4O4S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.161
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 159
Number of rings: 5

     

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