COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450722
Chemical Name: methyl2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc(OC)c(c(c2)OC)OC)sc2c1CCCCC2

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Molecular Weight: 419.5
Empirical Formula: C21H25NO6S

Physical State: Dry powder
Available Amount: 1442 mg

Lipinsky:
logP: 6.292
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 111
Number of rings: 3

     

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