COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757998
Chemical Name: 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl(2E)-3-(4-nitrophenyl)prop-2-enoate
Smiles: CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 439.49
Empirical Formula: C22H21N3O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.83
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 3

     

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