COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538836
Chemical Name: 2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C/C(=C\CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)/Cl

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Molecular Weight: 447.02
Empirical Formula: C22H23ClN2O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.309
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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