COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL492976
Chemical Name: 1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butan-1-one
Smiles: CSCCC(C(=O)N1CCN(CC1)CCn1c(C)ccc1C)n1cccc1

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Molecular Weight: 388.58
Empirical Formula: C21H32N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.914
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 58
Number of rings: 3

     

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