COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447121
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(CCN/C=C/2\C(=NN(C2=O)c2nc3c(s2)cccc3)CSc2ccc(cc2)Cl)ccc1OC

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Molecular Weight: 565.12
Empirical Formula: C28H25ClN4O3S2

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 7.127
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 129
Number of rings: 5

     

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