COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075776
Chemical Name: 2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}methylidene)-5-(thiophen-2-yl)cyclohexane-1,3-dione
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N/C=C/1\C(=O)CC(CC1=O)c1cccs1

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Molecular Weight: 444.58
Empirical Formula: C25H20N2O2S2

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 4.953
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 115
Number of rings: 5

     

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