COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK652345
Chemical Name: 2-amino-4-(1H-indol-5-yl)-7,7-dimethyl-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)cc[nH]3)C(=O)CC(C2)(C)C)c1nnc(s1)SC

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Molecular Weight: 462.6
Empirical Formula: C23H22N6OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.435
Rotatable bonds: 2
H-donors: 3
H-acceptors: 1
PSA: 165
Number of rings: 5

     

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