COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816292
Chemical Name: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[(4-butoxyphenyl)carbonyl]-5-[4-(heptyloxy)-3-methoxyphenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCOc1ccc(cc1OC)C1C(=C(C(=O)N1c1nnc(s1)SCc1ccccc1)O)C(=O)c1ccc(cc1)OCCCC

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Molecular Weight: 701.91
Empirical Formula: C38H43N3O6S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 10.578
Rotatable bonds: 16
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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