COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK964892
Chemical Name: ethyl2-({[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSCc2nnc3n2CCCCC3)sc2c1CCCC2

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Molecular Weight: 448.61
Empirical Formula: C21H28N4O3S2

Available Amount: 0 mg

Lipinsky:
logP: 5.432
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 4

     

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