COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187430
Chemical Name: (5E)-5-{[1-(4-iodophenyl)-1H-pyrrol-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2)I)/C1=O

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Molecular Weight: 463.3
Empirical Formula: C18H14IN3O2S

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 4.263
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 3

     

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