COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074330
Chemical Name: {(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}(cyano)azanide
Smiles: N#C[N-]/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/C

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Saltdata: Na+
Molecular Weight: 358.4
Empirical Formula: C19H12N5OS

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 3.83
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 97
Number of rings: 4

     

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