COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL098778
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{5-[(4-ethylphenyl)amino]-1H-1,2,3-triazol-4-yl}methanone
Smiles: CCc1ccc(cc1)Nc1[nH]nnc1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 434.5
Empirical Formula: C23H26N6O3

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 2.624
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 5

     

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