COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL332675
Chemical Name: ethyl5-cyano-4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC(=O)NC12CC3CC(C2)CC(C1)C3

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Molecular Weight: 549.69
Empirical Formula: C30H35N3O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.844
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 6

     

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