COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021033
Chemical Name: butyl2-({(2E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)Cl)/C#N)sc2c1CCCC2

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Molecular Weight: 543.47
Empirical Formula: C27H24Cl2N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.495
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 4

     

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