COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026475
Chemical Name: (6E)-6-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/C(=O)N=c2n(C1=N)ncs2

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Molecular Weight: 468.41
Empirical Formula: C19H12N6O7S

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 0.776
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 204
Number of rings: 4

     

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