COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL396073
Chemical Name: 3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-N-{(E)-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
Smiles: [O-][N+](=O)c1cccc(c1)n1cccc1/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 481.5
Empirical Formula: C20H19N9O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.271
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 182
Number of rings: 4

     

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