COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124021
Chemical Name: 2,4-dichloro-N-[1-(4-ethyl-5-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide
Smiles: CCn1c(SCC(=O)N2CCN(CC2)C)nnc1C(C(C)C)NC(=O)c1ccc(cc1Cl)Cl

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Molecular Weight: 513.49
Empirical Formula: C22H30Cl2N6O2S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.706
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 3

     

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