COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952721
Chemical Name: methyl2-{[(2E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C\c1cc(Br)ccc1O)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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Molecular Weight: 461.34
Empirical Formula: C20H17BrN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.566
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 3

     

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