COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007197
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1OC)/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C

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Molecular Weight: 501.63
Empirical Formula: C27H23N3O3S2

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 6.832
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 117
Number of rings: 5

     

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