COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076326
Chemical Name: 10-acetyl-3,3-dimethyl-11-(3-nitrophenyl)-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CC(=O)N1C(c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1ccc(c3)C(=O)c1ccccc1)CC(CC2=O)(C)C

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Molecular Weight: 509.56
Empirical Formula: C30H27N3O5

Physical State: Dry powder
Available Amount: 683 mg

Lipinsky:
logP: 4.885
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 5

     

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