COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056958
Chemical Name: 4-[2-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)N1CCN(CC1)CCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C

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Molecular Weight: 538.07
Empirical Formula: C26H28ClN7O2S

Physical State: Dry powder
Available Amount: 790 mg

Lipinsky:
logP: 4.034
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 5

     

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