COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK722774
Chemical Name: 1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8-benzyl-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=c1c2c3CCN(Cc3sc2n2c(n1c1ccccc1)nnc2SCc1ccc2c(c1)OCO2)Cc1ccccc1

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Molecular Weight: 579.7
Empirical Formula: C31H25N5O3S2

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 6.697
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 126
Number of rings: 8

     

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