COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113424
Chemical Name: 5-{3-chloro-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)Cl

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Molecular Weight: 501.83
Empirical Formula: C19H11ClF3N3O6S

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 2.845
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 154
Number of rings: 3

     

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