COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886040
Chemical Name: methyl2-({[6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C(=O)OC)C

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Molecular Weight: 577.06
Empirical Formula: C29H25ClN4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.583
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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