COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK908498
Chemical Name: methyl4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 651.72
Empirical Formula: C34H25N3O7S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 7.267
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 181
Number of rings: 7

     

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