COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526399
Chemical Name: 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C

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Molecular Weight: 524.64
Empirical Formula: C27H32N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.046
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 5

     

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