COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868317
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/N(C)C)c1nc2c(s1)cccc2

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Molecular Weight: 314.41
Empirical Formula: C16H18N4OS

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 3.486
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 77
Number of rings: 3

     

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