COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272282
Chemical Name: methyl4-[({6-[(4-bromophenyl)amino]-5-oxo-4-(prop-2-en-1-yl)-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)methyl]benzoate
Smiles: C=CCn1c(SCc2ccc(cc2)C(=O)OC)nnc(c1=O)Nc1ccc(cc1)Br

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Molecular Weight: 487.38
Empirical Formula: C21H19BrN4O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.193
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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