COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK435190
Chemical Name: S-[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]2-(4-butoxyphenyl)quinoline-4-carbothioate
Smiles: CCCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Sc1nnc(n1C)c1csc(c1)C

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Molecular Weight: 514.67
Empirical Formula: C28H26N4O2S2

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 7.693
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 123
Number of rings: 5

     

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