COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542930
Chemical Name: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCCn1ccnc1)/O

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Saltdata: HCl
Molecular Weight: 407.49
Empirical Formula: C22H21N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.294
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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