COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL246029
Chemical Name: 4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]butanoicacid
Smiles: O=C(CC(C(=O)O)CN1CCN(CC1)c1ccccc1)Nc1ccc2c(c1)OCO2

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Molecular Weight: 411.46
Empirical Formula: C22H25N3O5

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.336
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 91
Number of rings: 4

     

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