COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685035
Chemical Name: 2-amino-4-(3,5-dichlorothiophen-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(c2nnc(s2)SC(C)C)C2=C(C1c1sc(cc1Cl)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 526.53
Empirical Formula: C21H21Cl2N5OS3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.379
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 177
Number of rings: 4

     

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