COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK774600
Chemical Name: 1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Smiles: CCSc1nnc(s1)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 458.56
Empirical Formula: C21H22N4O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.372
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 162
Number of rings: 4

     

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