COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045955
Chemical Name: 1-[1-hydroxy-3,3-dimethyl-11-(5-nitrothiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-phenylethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(s2)[N+](=O)[O-])C(=O)Cc2ccccc2)cccc3)CC(C1)(C)C

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Molecular Weight: 487.58
Empirical Formula: C27H25N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.941
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 126
Number of rings: 5

     

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