COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447114
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(3,4-dimethoxyphenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1OC)N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/C

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Molecular Weight: 551.09
Empirical Formula: C27H23ClN4O3S2

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 7.211
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 129
Number of rings: 5

     

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