COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595220
Chemical Name: (1Z,2E)-1-{2-[4-(dimethylamino)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: CN(c1ccc(cc1)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)C

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Molecular Weight: 475.59
Empirical Formula: C28H33N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.951
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 77
Number of rings: 4

     

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