COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL522156
Chemical Name: methyl(2E)-2-{[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1[nH]/c(=N\C(=O)CC/C(=C/Cc2c(OC)c(C)c3c(c2OC)C(=O)OC3)/C)/sc1CC(C)C

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Molecular Weight: 530.64
Empirical Formula: C27H34N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.819
Rotatable bonds: 11
H-donors: 1
H-acceptors: 7
PSA: 137
Number of rings: 3

     

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