COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706803
Chemical Name: 6-[(5Z)-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: COc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1

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Saltdata: 1/5CH3COOH
Molecular Weight: 507.63
Empirical Formula: C26H25N3O4S2

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 4.242
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 142
Number of rings: 4

     

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