COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473722
Chemical Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC(C3)C)nnc1COc1cccc(c1)C(F)(F)F

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Molecular Weight: 547.63
Empirical Formula: C25H24F3N5O2S2

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 6.694
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 146
Number of rings: 4

     

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