COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053903
Chemical Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2C)C)/s1)C

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Molecular Weight: 429.59
Empirical Formula: C22H31N5O2S

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 2.694
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 102
Number of rings: 3

     

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