COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057834
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)c1nc2c(s1)cccc2

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Molecular Weight: 509.66
Empirical Formula: C28H23N5OS2

Physical State: Dry powder
Available Amount: 525 mg

Lipinsky:
logP: 7.031
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 126
Number of rings: 6

     

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