COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559293
Chemical Name: 1-{1-hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-phenylethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])C(=O)Cc2ccccc2)cccc3)CC(C1)(C)C

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Molecular Weight: 547.61
Empirical Formula: C33H29N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.079
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 6

     

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