COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045775
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(4-tert-butylbenzylidene)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)C(C)(C)C)c1nc2c(s1)cccc2

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Molecular Weight: 518.1
Empirical Formula: C28H24ClN3OS2

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 9.258
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 99
Number of rings: 5

     

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