COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK405685
Chemical Name: dimethyl1-(3-chloro-4-fluorophenyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Smiles: COC(=O)C1=CN(C=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)c1ccc(c(c1)Cl)F

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Molecular Weight: 446.82
Empirical Formula: C21H16ClFN2O6

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 2.988
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 101
Number of rings: 3

     

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