COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK069253
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-hydroxy-3-methoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1O)/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl

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Molecular Weight: 508.02
Empirical Formula: C25H18ClN3O3S2

Physical State: Dry powder
Available Amount: 681 mg

Lipinsky:
logP: 6.798
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 5

     

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