COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234752
Chemical Name: methyl[(4Z)-1-(1,3-benzothiazol-2-yl)-4-{1-[(3-ethoxypropyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: CCOCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)/C

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Molecular Weight: 416.5
Empirical Formula: C20H24N4O4S

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 3.565
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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