COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563451
Chemical Name: 1-{1-hydroxy-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
Smiles: CCCCCC(=O)N1C(c2ccc(o2)c2ccccc2[N+](=O)[O-])C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 527.62
Empirical Formula: C31H33N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.329
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 5

     

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