COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL291028
Chemical Name: 4-[(E)-{2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinylidene}methyl]-2-methoxyphenylacetate
Smiles: COc1cc(/C=N/N(C2=NS(=O)(=O)c3c2cccc3)CCC(=O)NC2CCCCC2)ccc1OC(=O)C

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Molecular Weight: 526.61
Empirical Formula: C26H30N4O6S

Physical State: Dry powder
Available Amount: 510 mg

Lipinsky:
logP: 3.11
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 127
Number of rings: 4

     

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