COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK261961
Chemical Name: methyl4-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C

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Molecular Weight: 406.47
Empirical Formula: C21H18N4O3S

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 3.996
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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