COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021028
Chemical Name: propan-2-yl2-{[(2E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(s1)C)/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2

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Molecular Weight: 414.55
Empirical Formula: C21H22N2O3S2

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 7.635
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 135
Number of rings: 3

     

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