COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK306918
Chemical Name: 5-[chloro(difluoro)methyl]-4-{[(E)-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])/C=N/n1c(S)nnc1C(Cl)(F)F

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Molecular Weight: 469.86
Empirical Formula: C18H14ClF2N5O4S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.964
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 146
Number of rings: 3

     

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