COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL233638
Chemical Name: (6E)-6-{[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1)OC

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Molecular Weight: 534.64
Empirical Formula: C27H30N6O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.1
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 137
Number of rings: 5

     

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