COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL224779
Chemical Name: (6E)-2-heptyl-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)OC)C)/C2=N)s1

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Molecular Weight: 477.63
Empirical Formula: C26H31N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.73
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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