COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001771
Chemical Name: benzyl5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C

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Molecular Weight: 530.56
Empirical Formula: C27H22N4O6S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 4.14
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 175
Number of rings: 4

     

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