COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK378078
Chemical Name: (4Z)-4-[(1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)butan-2-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C/1\C(=NN(C1=O)c1ccccc1)C)/C=c/1\sc2c(n1CC)cc(cc2)OC

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Molecular Weight: 419.55
Empirical Formula: C24H25N3O2S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 3.37
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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