COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053131
Chemical Name: 10-acetyl-3-[4-(diethylamino)phenyl]-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)N(CC)CC)Nc2c(N1C(=O)C)cccc2

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Molecular Weight: 509.65
Empirical Formula: C32H35N3O3

Physical State: Dry powder
Available Amount: 586 mg

Lipinsky:
logP: 5.563
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 61
Number of rings: 5

     

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