COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK217483
Chemical Name: 2-(ethylsulfanyl)-6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Smiles: CCSc1nn2c(n1)NC1=C(C2c2ccccc2[N+](=O)[O-])C(=O)CC(C1)(C)C

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Molecular Weight: 399.47
Empirical Formula: C19H21N5O3S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.44
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 4

     

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