COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712733
Chemical Name: (6Z)-2-butyl-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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)c3cc(ccc3C)[N+](=O)[O-])C)/C2=N)s1

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Molecular Weight: 464.55
Empirical Formula: C23H24N6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.41
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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