COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993217
Chemical Name: 4-{7-[bis(methylsulfanyl)methylidene]-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-4-oxobutanoicacid
Smiles: CSC(=C1CCCC2C1=NN(C2c1ccccc1)C(=O)CCC(=O)O)SC

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Molecular Weight: 404.55
Empirical Formula: C20H24N2O3S2

Available Amount: 0 mg

Lipinsky:
logP: 2.353
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 120
Number of rings: 3

     

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