COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538343
Chemical Name: tert-butyl6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

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Molecular Weight: 590.53
Empirical Formula: C28H29Cl2N3O5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.674
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 3

     

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