COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK218906
Chemical Name: methyl4-chloro-3-[({[5-({[(3,4-dichlorophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2cc(ccc2Cl)C(=O)OC)nnc1CNC(=O)c1ccc(c(c1)Cl)Cl

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Molecular Weight: 568.87
Empirical Formula: C23H20Cl3N5O4S

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 5.36
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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