COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL399132
Chemical Name: diethyl3-methyl-5-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)thiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2nn(cc2[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)OCC

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Molecular Weight: 530.6
Empirical Formula: C25H30N4O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.852
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 173
Number of rings: 6

     

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