COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK313425
Chemical Name: (5-methylthiophen-2-yl)[7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Smiles: Cc1ccc(s1)C(=O)C1=C(Nc2n(C1c1cccc(c1)[N+](=O)[O-])ncn2)C(F)(F)F

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Molecular Weight: 435.39
Empirical Formula: C18H12F3N5O3S

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 5.348
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 133
Number of rings: 4

     

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