COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK317512
Chemical Name: methyl2-({[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: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 484.58
Empirical Formula: C24H28N4O5S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 6.488
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 147
Number of rings: 7

     

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