COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886095
Chemical Name: 4-{[({3-cyano-4-(2-methoxyphenyl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}benzoicacid
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(=O)O)NC(=C(C1c1ccccc1OC)C(=O)Nc1ccccc1C)C

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Molecular Weight: 568.65
Empirical Formula: C31H28N4O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.744
Rotatable bonds: 7
H-donors: 4
H-acceptors: 5
PSA: 165
Number of rings: 4

     

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