COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174820
Chemical Name: 2-[(5-{[(4-bromophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(2Z)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)CNc1ccc(cc1)Br)N/N=C/C(=C\c1ccc(cc1)C(C)C)/C

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Molecular Weight: 541.52
Empirical Formula: C25H29BrN6OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.075
Rotatable bonds: 7
H-donors: 2
H-acceptors: 1
PSA: 109
Number of rings: 3

     

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