COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042358
Chemical Name: 10-acetyl-3-[4-(dimethylamino)phenyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CN(c1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)C)C

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Molecular Weight: 457.6
Empirical Formula: C27H27N3O2S

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 4.262
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 5

     

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