COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094304
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(3-hydroxypropyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: OCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl

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Molecular Weight: 458.99
Empirical Formula: C21H19ClN4O2S2

Available Amount: 0 mg

Lipinsky:
logP: 5.054
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 131
Number of rings: 4

     

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