COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK764666
Chemical Name: tert-butyl4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

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Molecular Weight: 546.09
Empirical Formula: C30H28ClN3O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.639
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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