COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712721
Chemical Name: (6Z)-2-butyl-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3cccc(c3)Cl)C)/C2=N)s1

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Molecular Weight: 439.97
Empirical Formula: C22H22ClN5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.815
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 4

     

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