COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115846
Chemical Name: ethyl4-[({2-[(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl}carbonyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1c(NCc2ccncc2)sc2c1CCCCC2

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Molecular Weight: 449.57
Empirical Formula: C25H27N3O3S

Available Amount: 0 mg

Lipinsky:
logP: 6.698
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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