COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681141
Chemical Name: 8,9-diethoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
Smiles: CCOc1cc2c(cc1OCC)CNC(c1n2ccc1)c1cccc(c1)[N+](=O)[O-]

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Saltdata: HCl
Molecular Weight: 393.44
Empirical Formula: C22H23N3O4

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 3.9
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 81
Number of rings: 4

     

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