COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590189
Chemical Name: (3E)-4-imino-8-(methylsulfonyl)-3-(1H-pyrrol-2-ylmethylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C\c1ccc[nH]1)ccc(c3)S(=O)(=O)C

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Molecular Weight: 372.43
Empirical Formula: C16H12N4O3S2

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 0.294
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 140
Number of rings: 4

     

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