COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905123
Chemical Name: methyl4-(4-hydroxy-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-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)CC(O2)C)O

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Saltdata: 1 CH3COOH
Molecular Weight: 649.75
Empirical Formula: C35H27N3O6S2

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 7.765
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 172
Number of rings: 7

     

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