COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677924
Chemical Name: 4-[2-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
Smiles: O=C(N1CCN(CC1)CCN/C(=C\1/C(=NN(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: 55 mg

Lipinsky:
logP: 6.685
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 6

     

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