COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK135059
Chemical Name: 3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])N(C(=O)c1ccccc1)c1c(N2)cccc1

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Molecular Weight: 547.61
Empirical Formula: C33H29N3O5

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 6.74
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 6

     

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