COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149850
Chemical Name: methyl[(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(3-methylbutyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C(/NCCC(C)C)\C)c1nc2c(s1)cccc2

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Molecular Weight: 400.5
Empirical Formula: C20H24N4O3S

Physical State: Dry powder
Available Amount: 435 mg

Lipinsky:
logP: 4.749
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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