COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074442
Chemical Name: (6E)-6-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl)/C=C\1/C(=O)N=c2n(C1=N)ncs2

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Molecular Weight: 471.88
Empirical Formula: C20H14ClN5O5S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.953
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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