COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182042
Chemical Name: 3-[({[5-({[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(NCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C(=O)O)/C=C/c1ccccc1Cl

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Molecular Weight: 485.95
Empirical Formula: C22H20ClN5O4S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 9
H-donors: 3
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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