COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826594
Chemical Name: benzyl4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=C(C1c1ccccc1Cl)C(=O)OCc1ccccc1)C

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Molecular Weight: 580.11
Empirical Formula: C33H26ClN3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.887
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 116
Number of rings: 5

     

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