COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827681
Chemical Name: 4-{[({3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}benzoicacid
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(=O)O)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

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Molecular Weight: 560.65
Empirical Formula: C28H24N4O5S2

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 4.944
Rotatable bonds: 7
H-donors: 4
H-acceptors: 5
PSA: 194
Number of rings: 4

     

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