COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993214
Chemical Name: (3E)-1-(1,3-dithiolan-2-ylidene)-4-(4-methoxyphenyl)but-3-en-2-one
Smiles: COc1ccc(cc1)/C=C/C(=O)C=C1SCCS1

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Molecular Weight: 278.4
Empirical Formula: C14H14O2S2

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.252
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 76
Number of rings: 2

     

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