COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562143
Chemical Name: 1-[1-hydroxy-3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one
Smiles: CC(C(=O)N1C(c2ccc(cc2)[N+](=O)[O-])C2=C(O)CC(CC2=Nc2c1cccc2)(C)C)C

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Molecular Weight: 433.51
Empirical Formula: C25H27N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.315
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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