COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087910
Chemical Name: N-(6,6-dimethyl-2-nonyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-2-nitrobenzamide
Smiles: CCCCCCCCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccccc1[N+](=O)[O-])CC(OC3)(C)C

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Molecular Weight: 526.66
Empirical Formula: C27H34N4O5S

Physical State: Dry powder
Available Amount: 469 mg

Lipinsky:
logP: 5.965
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 145
Number of rings: 4

     

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