COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK524541
Chemical Name: 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4,7,7-trimethyl-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: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C

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Molecular Weight: 474.99
Empirical Formula: C21H19ClN4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.065
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 5

     

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