COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL403088
Chemical Name: methyl1-({[4-({(E)-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Smiles: COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(c(c1)Cn1cccn1)OC

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Molecular Weight: 452.5
Empirical Formula: C20H20N8O3S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 2.066
Rotatable bonds: 10
H-donors: 0
H-acceptors: 3
PSA: 139
Number of rings: 4

     

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