COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143028
Chemical Name: 4-[2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Molecular Weight: 525.62
Empirical Formula: C22H26F3N7OS2

Physical State: Dry powder
Available Amount: 763 mg

Lipinsky:
logP: 4.902
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 136
Number of rings: 4

     

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