COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK898842
Chemical Name: 2-{[(6-ethyl-1,3-benzothiazol-2-yl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCc1ccc2c(c1)sc(n2)NC=C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 328.44
Empirical Formula: C18H20N2O2S

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 3.829
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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