COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446887
Chemical Name: propyl2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2

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Molecular Weight: 427.52
Empirical Formula: C23H25NO5S

Physical State: Dry powder
Available Amount: 1180 mg

Lipinsky:
logP: 8.577
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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