COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018839
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(morpholin-4-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\N1CCOCC1)/C)c1nc2c(s1)cccc2

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Molecular Weight: 485.03
Empirical Formula: C23H21ClN4O2S2

Physical State: Dry powder
Available Amount: 646 mg

Lipinsky:
logP: 6.339
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 111
Number of rings: 5

     

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