COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK135026
Chemical Name: N-{1-[5-({2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1C(NC(=O)c1ccccc1)C

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Molecular Weight: 473.96
Empirical Formula: C22H21ClFN5O2S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 4.898
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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