COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK818640
Chemical Name: 1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-(4-methylphenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=C1C(=O)/C=C/c1ccccc1)O

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Molecular Weight: 543.64
Empirical Formula: C29H22FN3O3S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 7.263
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 136
Number of rings: 5

     

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