COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK232017
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/Nc1ccc(cc1)Cn1cncn1

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Molecular Weight: 429.51
Empirical Formula: C22H19N7OS

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 2.481
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 116
Number of rings: 5

     

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