COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL011354
Chemical Name: (4E)-4-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1Cl)N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)C

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Molecular Weight: 383.86
Empirical Formula: C16H18ClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.277
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 3

     

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