COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL243995
Chemical Name: methyl(2Z)-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)imino]-5-(2-phenylethyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1[nH]/c(=N/C(=O)Cc2ccc3c(c2)OCCCO3)/sc1CCc1ccccc1

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Molecular Weight: 452.53
Empirical Formula: C24H24N2O5S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.652
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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