COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550427
Chemical Name: 2-{2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCSc2nc3sc4c(c3c(=O)n2c2ccccc2)CC(OC4)(C)C)C(=O)c2c1cccc2

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Molecular Weight: 517.63
Empirical Formula: C27H23N3O4S2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 5.46
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 6

     

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