COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL391088
Chemical Name: N-{(E)-[5-(3-chlorophenyl)furan-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: Clc1cccc(c1)c1ccc(o1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 471.93
Empirical Formula: C20H18ClN7O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.195
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 145
Number of rings: 4

     

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