COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295043
Chemical Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/N1CCNCC1)c1ccc(c(c1)C)C

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Molecular Weight: 298.39
Empirical Formula: C17H22N4O

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 1.786
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 47
Number of rings: 3

     

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