COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712748
Chemical Name: (6Z)-2-butyl-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: CCCCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccc(cc3OC)[N+](=O)[O-])C)/C2=N)s1

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Molecular Weight: 480.55
Empirical Formula: C23H24N6O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.109
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 154
Number of rings: 4

     

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