COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559361
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]ethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(cc2)[N+](=O)[O-])C(=O)C)cccc3)CC(C1)(C)C

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Molecular Weight: 405.45
Empirical Formula: C23H23N3O4

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 4.437
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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