COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK084350
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[4-(benzyloxy)benzylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)OCc1ccccc1)c1nc2c(s1)cccc2

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Molecular Weight: 568.12
Empirical Formula: C31H22ClN3O2S2

Physical State: Dry powder
Available Amount: 423 mg

Lipinsky:
logP: 9.171
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 6

     

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