COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993195
Chemical Name: (4E)-5-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enoicacid
Smiles: Clc1ccc(cc1)/C=C/C(=O)C(=C1SCCS1)C(=O)O

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Molecular Weight: 326.82
Empirical Formula: C14H11ClO3S2

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.823
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 2

     

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