COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK625090
Chemical Name: 2-{(5Z)-5-[(5-methoxy-1H-indol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2c[nH]c3c2cc(OC)cc3)/C1=O)C(=O)O

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Molecular Weight: 422.55
Empirical Formula: C18H18N2O4S3

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 2.914
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 165
Number of rings: 3

     

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