COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600145
Chemical Name: 12,12-dimethyl-7-[(4-nitrobenzyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

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Molecular Weight: 467.53
Empirical Formula: C20H17N7O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.396
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 168
Number of rings: 6

     

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