COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL449226
Chemical Name: (2E)-3-{[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]amino}-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: COc1ccc(cc1)C(N1CCCCCC1)CN/C=C(/S(=O)(=O)c1ccccc1)\C#N

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Molecular Weight: 439.58
Empirical Formula: C24H29N3O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.95
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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