COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545853
Chemical Name: prop-2-en-1-yl5-cyano-6-({2-[(3,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC(=O)Nc1ccc(c(c1)F)F

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Molecular Weight: 539.56
Empirical Formula: C27H23F2N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.144
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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