COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK597059
Chemical Name: 3-(5-{(E)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: O=C1N=c2sc3c(n2C(=[NH2+])/C/1=C\c1ccc(o1)c1cccc(c1)C(=O)[O-])ccc(c3)S(=O)(=O)C

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Molecular Weight: 493.52
Empirical Formula: C23H15N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.032
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 179
Number of rings: 5

     

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