COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434335
Chemical Name: methyl2-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C

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Molecular Weight: 441.46
Empirical Formula: C21H19N3O6S

Physical State: Dry powder
Available Amount: 713 mg

Lipinsky:
logP: 4.858
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 146
Number of rings: 3

     

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