COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447116
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[4-(4-fluorophenyl)piperazin-1-yl]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/C

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Molecular Weight: 578.13
Empirical Formula: C29H25ClFN5OS2

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 7.538
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 105
Number of rings: 6

     

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