COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007236
Chemical Name: {(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-(2-methoxy-2-oxoethyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}(cyano)azanide
Smiles: N#C[N-]/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)/C

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Saltdata: Na+
Molecular Weight: 354.37
Empirical Formula: C16H12N5O3S

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 2.645
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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