COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL393541
Chemical Name: N-[(E)-(5-benzylthiophen-2-yl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: Cc1nnc(n1/N=C/c1ccc(s1)Cc1ccccc1)SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 467.58
Empirical Formula: C21H21N7O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.636
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 160
Number of rings: 4

     

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