COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587468
Chemical Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C\c1ccc2c(c1)OCO2)cccc3

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Molecular Weight: 349.37
Empirical Formula: C18H11N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.602
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 5

     

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