COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK634810
Chemical Name: 4-{[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2

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Molecular Weight: 426.47
Empirical Formula: C17H18N2O7S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: -0.136
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 156
Number of rings: 4

     

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