COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099135
Chemical Name: (6E)-6-{2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrobenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)[N+](=O)[O-])C(C)C

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Molecular Weight: 535.62
Empirical Formula: C27H29N5O5S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 5.16
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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