COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446107
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methoxybenzyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)CN/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1

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Molecular Weight: 440.53
Empirical Formula: C25H20N4O2S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 5.239
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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