COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554774
Chemical Name: (6Z)-6-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccc4c(c3)OCO4)/C2=N)s1)CC

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Molecular Weight: 499.59
Empirical Formula: C27H25N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.676
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 117
Number of rings: 6

     

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