COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL226986
Chemical Name: 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-11-propyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCc1ccc2c(c1)OCO2

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Molecular Weight: 489.62
Empirical Formula: C25H23N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.487
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 127
Number of rings: 7

     

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