COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK232089
Chemical Name: 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Smiles: CSc1nc2n(n1)C(C1=C(N2)CC(CC1=O)(C)C)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 419.89
Empirical Formula: C18H18ClN5O3S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 4.56
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 4

     

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