COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL238397
Chemical Name: (4E)-4-{[(3-butoxyphenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCOc1cccc(c1)N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)C

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Molecular Weight: 391.49
Empirical Formula: C19H25N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.201
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 3

     

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