COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887247
Chemical Name: prop-2-en-1-yl4-(2-chlorophenyl)-5-cyano-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 524.98
Empirical Formula: C25H21ClN4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.85
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 162
Number of rings: 3

     

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