COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK926061
Chemical Name: 3,7-bis[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-12-(propan-2-yl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: CC(C1OCc2c(C1)c1c3nnc(n3c3n(c1s2)c(SCc1ccc2c(c1)OCO2)nn3)SCc1ccc2c(c1)OCO2)C

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Molecular Weight: 646.77
Empirical Formula: C30H26N6O5S3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 8.789
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 185
Number of rings: 9

     

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