COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677720
Chemical Name: 4-{[(3-{[(2E)-4-(1,3-benzodioxol-5-yl)butan-2-ylidene]amino}-2-imino-4-oxo-1,3-thiazinan-6-yl)carbonyl]amino}benzoicacid
Smiles: O=C(C1CC(=O)N(C(=N)S1)/N=C(/CCc1ccc2c(c1)OCO2)\C)Nc1ccc(cc1)C(=O)O

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Molecular Weight: 482.52
Empirical Formula: C23H22N4O6S

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 1.754
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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