COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK736096
Chemical Name: N-(2-chlorophenyl)-6-({[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine
Smiles: CCn1c(SCc2nc(N)nc(n2)Nc2ccccc2Cl)nnc1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 483.94
Empirical Formula: C20H18ClN9O2S

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 3.771
Rotatable bonds: 5
H-donors: 3
H-acceptors: 2
PSA: 178
Number of rings: 4

     

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