COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133234
Chemical Name: N-{1-[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nnc1C(C(C)C)NC(=O)c1ccccc1

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Molecular Weight: 498.05
Empirical Formula: C25H28ClN5O2S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 5.74
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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