COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL266873
Chemical Name: 4-amino-1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-3-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-1-ium
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1n[n+](cn1N)CC(=O)Nc1ccc(cc1)Cl

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Saltdata: Cl-
Molecular Weight: 452.34
Empirical Formula: C18H17Cl2N6O2S

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 4
H-acceptors: 2
PSA: 131
Number of rings: 3

     

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