COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007413
Chemical Name: 3,3-dimethyl-11-(3-nitrophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCC(=O)N1C(c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)(C)C

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Molecular Weight: 419.48
Empirical Formula: C24H25N3O4

Physical State: Dry powder
Available Amount: 33 mg

Lipinsky:
logP: 4.105
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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