COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL394161
Chemical Name: N-{(E)-[4-(dimethylamino)phenyl]methylidene}-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: CN(c1ccc(cc1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C)C

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Molecular Weight: 414.49
Empirical Formula: C18H22N8O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.219
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 135
Number of rings: 3

     

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