COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035944
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OCC(N/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)(CO)CO

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Molecular Weight: 362.41
Empirical Formula: C16H18N4O4S

Physical State: Dry powder
Available Amount: 718 mg

Lipinsky:
logP: 2.085
Rotatable bonds: 6
H-donors: 4
H-acceptors: 4
PSA: 146
Number of rings: 3

     

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