COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758644
Chemical Name: 2-amino-4-(4-bromophenyl)-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2

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Molecular Weight: 547.52
Empirical Formula: C28H27BrN4OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.491
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 122
Number of rings: 5

     

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