COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547771
Chemical Name: 5-cyano-2-methyl-N-(2-methylphenyl)-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

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Molecular Weight: 545.64
Empirical Formula: C27H23N5O4S2

Physical State: Dry powder
Available Amount: 386 mg

Lipinsky:
logP: 5.857
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 193
Number of rings: 4

     

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