COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150009
Chemical Name: methyl{(4E)-1-(1,3-benzothiazol-2-yl)-4-[4-(dimethylamino)benzylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C/c1ccc(cc1)N(C)C)c1nc2c(s1)cccc2

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Molecular Weight: 420.49
Empirical Formula: C22H20N4O3S

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 5.092
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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