COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001252
Chemical Name: 10-butanoyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCC(=O)N1C(c2ccc(cc2)SC)C2=C(Nc3c1cccc3)CCCC2=O

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Molecular Weight: 406.55
Empirical Formula: C24H26N2O2S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 4.359
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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