COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL249275
Chemical Name: 4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)butanoicacid
Smiles: O=C(CC(C(=O)O)CN1CCN(CC1)C/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2

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Molecular Weight: 451.52
Empirical Formula: C25H29N3O5

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.152
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 91
Number of rings: 4

     

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