COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048303
Chemical Name: ethyl6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate
Smiles: CCOC(=O)C1C(c2ccc(cc2)[N+](=O)[O-])C2C(=O)NN=C2CC1(C)O

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Molecular Weight: 361.35
Empirical Formula: C17H19N3O6

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 1.682
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 133
Number of rings: 3

     

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