COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505151
Chemical Name: (2E)-2-cyano-3-(4-{[5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1nnc([nH]1)c1ccc(cc1Cl)Cl)/C(=O)N

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Molecular Weight: 461.29
Empirical Formula: C18H10Cl2N6O3S

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 4.333
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 179
Number of rings: 3

     

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