COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK739946
Chemical Name: methyl2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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Molecular Weight: 511.94
Empirical Formula: C24H18ClN3O6S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 7.782
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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