COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207127
Chemical Name: 2-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzonitrile
Smiles: N#Cc1ccccc1N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C

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Molecular Weight: 373.44
Empirical Formula: C20H15N5OS

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 3.361
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 109
Number of rings: 4

     

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