COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829822
Chemical Name: methyl2-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3)C

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Molecular Weight: 454.57
Empirical Formula: C22H22N4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.372
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 5

     

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