COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK609440
Chemical Name: 1-[1-hydroxy-3,3-dimethyl-11-(5-nitrofuran-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Smiles: CCC(=O)N1C(c2ccc(o2)[N+](=O)[O-])C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 409.44
Empirical Formula: C22H23N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.799
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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