COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044903
Chemical Name: 1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl}(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-4-hydroxy-6-
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)[S-])c1c(O)nc(=S)n(c1O)CCC1=CCCCC1

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Molecular Weight: 797.06
Empirical Formula: C43H52N6O5S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 7.678
Rotatable bonds: 16
H-donors: 4
H-acceptors: 5
PSA: 167
Number of rings: 7

     

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