COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886183
Chemical Name: methyl2-{[({3-cyano-4-(furan-2-yl)-6-methyl-5-[(3-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)NC(=C(C1c1ccco1)C(=O)Nc1cccc(c1)C)C

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Molecular Weight: 542.62
Empirical Formula: C29H26N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.33
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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