COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447117
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-{[4-chloro-3-(trifluoromethyl)phenyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\Nc1ccc(c(c1)C(F)(F)F)Cl)/C)c1nc2c(s1)cccc2

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Molecular Weight: 593.48
Empirical Formula: C26H17Cl2F3N4OS2

Physical State: Dry powder
Available Amount: 389 mg

Lipinsky:
logP: 9.577
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 5

     

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