COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149851
Chemical Name: methyl[(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: COC(=O)CC1=NN(C(=O)/C/1=C(/NCc1ccccc1Cl)\C)c1nc2c(s1)cccc2

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Molecular Weight: 454.94
Empirical Formula: C22H19ClN4O3S

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 5.287
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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