COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474013
Chemical Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)nnc1Cc1cccs1

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Molecular Weight: 471.67
Empirical Formula: C22H25N5OS3

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 5.786
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 165
Number of rings: 4

     

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