COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL392303
Chemical Name: 3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-{(E)-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methylidene}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: COc1ccc(cc1Cn1cccn1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 481.54
Empirical Formula: C21H23N9O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.735
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 159
Number of rings: 4

     

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