COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112325
Chemical Name: (5E)-5-[(1-{4-[(2-chlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)OCc2ccccc2Cl)C)/C1=O

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Molecular Weight: 506.02
Empirical Formula: C27H24ClN3O3S

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 6.318
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 4

     

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