COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK776132
Chemical Name: 2-amino-7,7-dimethyl-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CC(C2)(C)C)c1nnc(s1)SCc1ccc(cc1)C

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Molecular Weight: 514.68
Empirical Formula: C27H26N6OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.256
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 162
Number of rings: 5

     

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