COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042101
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(4-methylphenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/C

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Molecular Weight: 505.06
Empirical Formula: C26H21ClN4OS2

Physical State: Dry powder
Available Amount: 601 mg

Lipinsky:
logP: 7.556
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 5

     

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