COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547375
Chemical Name: ethyl4-cyano-5-[({[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1cccs1

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Saltdata: 0,75 DMFA, 0,25 C2H5OH
Molecular Weight: 536.58
Empirical Formula: C22H15F3N4O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.399
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 197
Number of rings: 3

     

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