COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015370
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(2-methoxyethyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: COCCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/C

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Molecular Weight: 473.02
Empirical Formula: C22H21ClN4O2S2

Physical State: Dry powder
Available Amount: 342 mg

Lipinsky:
logP: 5.76
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 120
Number of rings: 4

     

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