COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK818052
Chemical Name: 3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(2E)-3-phenylprop-2-enoyl]-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)CSc1nnc(s1)N1C(c2cccnc2)C(=C(C1=O)O)C(=O)/C=C/c1ccccc1

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Molecular Weight: 526.64
Empirical Formula: C28H22N4O3S2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 5.719
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 149
Number of rings: 5

     

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