COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757042
Chemical Name: tert-butyl{[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OC(C)(C)C)NC(=C([C@H]1c1ccccc1[N+](=O)[O-])C(=O)C)C

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Molecular Weight: 429.5
Empirical Formula: C21H23N3O5S

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 3.634
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 2

     

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