COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357455
Chemical Name: 3,3-dimethyl-10-(2-methylpropanoyl)-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CC(C(=O)N1C(c2ccc(s2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)C

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Molecular Weight: 439.54
Empirical Formula: C23H25N3O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.15
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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