COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072631
Chemical Name: (6Z)-6-[4-(dimethylamino)benzylidene]-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)N(C)C)/C2=N)s1

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Molecular Weight: 397.54
Empirical Formula: C21H27N5OS

Physical State: Dry powder
Available Amount: 637 mg

Lipinsky:
logP: 4.539
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 97
Number of rings: 3

     

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