COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054859
Chemical Name: 2-iodo-4-{(E)-[2-(morpholin-4-ium-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)I)[O-])[NH+]1CCOCC1

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Molecular Weight: 416.24
Empirical Formula: C14H13IN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.037
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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