COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK317507
Chemical Name: ethyl6-ethyl-2-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2nn(cc2[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)CC

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Molecular Weight: 526.66
Empirical Formula: C27H34N4O5S

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 8.042
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 147
Number of rings: 7

     

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