COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421846
Chemical Name: propan-2-yl2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCC2)C

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Molecular Weight: 413.49
Empirical Formula: C22H23NO5S

Physical State: Dry powder
Available Amount: 540 mg

Lipinsky:
logP: 7.829
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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