COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542473
Chemical Name: 11-hydroxy-7-nitro-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Smiles: OC1=Nc2ccc(cc2C(=O)N2C1CCC2)[N+](=O)[O-]

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Molecular Weight: 261.24
Empirical Formula: C12H11N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.012
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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