COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK211065
Chemical Name: 6,6-dimethyl-2-(methylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Smiles: CSc1nn2c(n1)NC1=C(C2c2ccccc2[N+](=O)[O-])C(=O)CC(C1)(C)C

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Molecular Weight: 385.45
Empirical Formula: C18H19N5O3S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 3.909
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 4

     

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