COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071722
Chemical Name: (6Z)-2-cyclohexyl-5-imino-6-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1)[N+](=O)[O-]

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Molecular Weight: 479.52
Empirical Formula: C23H21N5O5S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 3.899
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 162
Number of rings: 5

     

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