COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032769
Chemical Name: (6Z)-2-ethyl-5-imino-6-{[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC)[N+](=O)[O-]

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Molecular Weight: 452.49
Empirical Formula: C21H20N6O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.046
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 154
Number of rings: 4

     

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