COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057717
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(2,3-dimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1c(cccc1OC)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl

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Molecular Weight: 522.05
Empirical Formula: C26H20ClN3O3S2

Available Amount: 0 mg

Lipinsky:
logP: 7.457
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 117
Number of rings: 5

     

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