COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021019
Chemical Name: propan-2-yl2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2

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Molecular Weight: 505.55
Empirical Formula: C26H23N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.385
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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