COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206716
Chemical Name: 4-[2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C

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Molecular Weight: 471.65
Empirical Formula: C22H29N7OS2

Physical State: Dry powder
Available Amount: 174 mg

Lipinsky:
logP: 2.41
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 136
Number of rings: 4

     

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