COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL022492
Chemical Name: 2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)thiophen-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: N#C/C(=C\c1ccc(s1)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1sc2c(c1C(=O)N)CCCC2

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Molecular Weight: 478.55
Empirical Formula: C23H18N4O4S2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.456
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 198
Number of rings: 4

     

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