COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK635997
Chemical Name: [1-hydroxy-3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](phenyl)methanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(cc2)[N+](=O)[O-])C(=O)c2ccccc2)cccc3)CC(C1)(C)C

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Molecular Weight: 467.52
Empirical Formula: C28H25N3O4

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 6.307
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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