COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800694
Chemical Name: ethyl4-{[({3-cyano-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridin-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccc(c(c1)C)OCCC(C)C

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Molecular Weight: 585.65
Empirical Formula: C30H30F3N3O4S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 9.269
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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