COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK883706
Chemical Name: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1C(=C(C(N1c1nnc(s1)SCc1ccccc1)c1ccc(cc1)C(C)C)C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 585.7
Empirical Formula: C31H27N3O5S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 7.398
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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