COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172508
Chemical Name: 2-{[5-{[(4-chlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]propanehydrazide
Smiles: C=CCn1c(nnc1CNc1ccc(cc1)Cl)SC(C(=O)N/N=C/c1cc(Br)cc(c1O)Br)C

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Molecular Weight: 628.77
Empirical Formula: C22H21Br2ClN6O2S

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 8.063
Rotatable bonds: 10
H-donors: 3
H-acceptors: 2
PSA: 129
Number of rings: 3

     

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