COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK908505
Chemical Name: 5-(3-butoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 629.76
Empirical Formula: C33H31N3O6S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.028
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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