COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457427
Chemical Name: methyl2-{[(2-{[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}hydrazinyl)carbonothioyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NNC(=O)c2cc(nc3c2cccc3)c2ccc3c(c2)OCO3)sc(c1C)C(=O)N(C)C

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Molecular Weight: 591.67
Empirical Formula: C28H25N5O6S2

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 5.762
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 191
Number of rings: 5

     

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