COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455079
Chemical Name: (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(C)[nH]c2c1cccc2)/S(=O)(=O)c1ccccc1

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Molecular Weight: 322.39
Empirical Formula: C18H14N2O2S

Physical State: Dry powder
Available Amount: 416 mg

Lipinsky:
logP: 3.369
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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