COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK138680
Chemical Name: (2E)-3-(2-chlorophenyl)-N-{[4-methyl-5-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide
Smiles: O=C(NCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C)/C=C/c1ccccc1Cl

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Molecular Weight: 455.97
Empirical Formula: C22H22ClN5O2S

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 3.893
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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