COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952433
Chemical Name: methyl2-{[(2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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Molecular Weight: 426.49
Empirical Formula: C22H22N2O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.308
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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