COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK465363
Chemical Name: 3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazole
Smiles: CC1CCc2c(C1)scc2c1nnc(n1C(C)C)SCn1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 418.54
Empirical Formula: C18H22N6O2S2

Physical State: Dry powder
Available Amount: 267 mg

Lipinsky:
logP: 5.962
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 147
Number of rings: 4

     

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