COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114225
Chemical Name: 3,3-dimethyl-11-(3-nitrophenyl)-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(c1c(N2)cccc1)C1OC(=O)c2c1cccc2

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Molecular Weight: 495.53
Empirical Formula: C29H25N3O5

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 4.172
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 6

     

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