COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020009
Chemical Name: 4-[2-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)ethyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
Smiles: O=C(N1CCN(CC1)CC/N=C(/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1)\C)Nc1ccc(c(c1)Cl)Cl

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Molecular Weight: 634.59
Empirical Formula: C31H29Cl2N7O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.229
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 6

     

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