COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118038
Chemical Name: (2E)-3-(2-chlorophenyl)-N-{[4-ethyl-5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1CC)CNC(=O)/C=C/c1ccccc1Cl

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Molecular Weight: 485.99
Empirical Formula: C23H24ClN5O3S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 4.132
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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