COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187362
Chemical Name: (5E)-1-(prop-2-en-1-yl)-2-thioxo-5-({1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}methylidene)dihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)C(F)(F)F)/C1=O

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Molecular Weight: 405.4
Empirical Formula: C19H14F3N3O2S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 3.803
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 3

     

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