COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK704326
Chemical Name: methyl4-(3-[(3,4-dimethoxyphenyl)carbonyl]-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)C1C(=C(C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2)O)C(=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 653.74
Empirical Formula: C34H27N3O7S2

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 7.339
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 181
Number of rings: 6

     

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