COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447115
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[4-(diphenylmethyl)piperazin-1-yl]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\N1CCN(CC1)C(c1ccccc1)c1ccccc1)/C)c1nc2c(s1)cccc2

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Molecular Weight: 650.27
Empirical Formula: C36H32ClN5OS2

Physical State: Dry powder
Available Amount: 447 mg

Lipinsky:
logP: 9.17
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 105
Number of rings: 7

     

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