COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800815
Chemical Name: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Smiles: Oc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)O

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Molecular Weight: 555.63
Empirical Formula: C29H21N3O5S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 5.699
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 170
Number of rings: 6

     

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