COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085482
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxyethyl)amino]methylidene}-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: OCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccc(cc1)OC

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Molecular Weight: 394.45
Empirical Formula: C20H18N4O3S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 3.081
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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