COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL491098
Chemical Name: 4-(methylsulfanyl)-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-2-(1H-pyrrol-1-yl)butan-1-one
Smiles: CSCCC(C(=O)N1CCN(CC1)C/C=C/c1ccccc1)n1cccc1

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Molecular Weight: 383.56
Empirical Formula: C22H29N3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.072
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 53
Number of rings: 3

     

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