COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685036
Chemical Name: 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1nnc(s1)SC(C)C

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Molecular Weight: 536.54
Empirical Formula: C21H22BrN5OS3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.792
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 177
Number of rings: 4

     

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