COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK109845
Chemical Name: 5-(4-chlorophenyl)-4-{[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Clc1ccc(cc1)c1nnc(n1/N=C/C=C\c1ccccc1[N+](=O)[O-])S

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Molecular Weight: 385.83
Empirical Formula: C17H12ClN5O2S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 6.126
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 127
Number of rings: 3

     

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