COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041763
Chemical Name: N-{(E)-[(3-chlorophenyl)amino][(4-hydroxy-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-2-yl)amino]methylidene}benzamide
Smiles: Oc1nc(nc(c1)CSc1nnc(s1)C)N/C(=N/C(=O)c1ccccc1)/Nc1cccc(c1)Cl

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Molecular Weight: 512.02
Empirical Formula: C22H18ClN7O2S2

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 3.093
Rotatable bonds: 4
H-donors: 3
H-acceptors: 2
PSA: 178
Number of rings: 4

     

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