COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL137010
Chemical Name: 2,4-dichloro-N-{[5-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)CC)nnc1CNC(=O)c1ccc(cc1Cl)Cl

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Molecular Weight: 504.44
Empirical Formula: C23H23Cl2N5O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.271
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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