COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543420
Chemical Name: 1-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-7,7-dimethyl-4-(3-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: C/C(=C/CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(C)C)/Cl

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Molecular Weight: 487.05
Empirical Formula: C23H23ClN4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.15
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 5

     

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