COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK860446
Chemical Name: 3'-amino-2'-[(4-bromophenyl)carbonyl]-6'-oxo-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile
Smiles: N#CC1C(=O)Nc2c(C31CCCCC3)c(N)c(s2)C(=O)c1ccc(cc1)Br

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Molecular Weight: 444.35
Empirical Formula: C20H18BrN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 1
H-donors: 3
H-acceptors: 2
PSA: 124
Number of rings: 4

     

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