COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK251484
Chemical Name: 3,4-dichloro-N-[2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Smiles: O=C(c1ccc(c(c1)Cl)Cl)NCCc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 494.36
Empirical Formula: C20H17Cl2N5O4S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.415
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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