COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK739757
Chemical Name: methyl2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)\C#N

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Molecular Weight: 452.57
Empirical Formula: C25H28N2O4S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 8.551
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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