COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552330
Chemical Name: 2-(2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione
Smiles: CSc1nc2sc3c(c2c2n1c(SCCN1C(=O)c4c(C1=O)cccc4)nn2)CC(OC3)(C)C

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Molecular Weight: 511.65
Empirical Formula: C23H21N5O3S3

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 6.813
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 168
Number of rings: 6

     

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